PubChemLite - 3,6,9,12,15-pentaoxaoctadecanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,17,18,18,18-eicosafluoro-2,5,8,11,14-pentakis(trifluoromethyl)- (C18F36O6)

Structural Information

Molecular Formula

SMILES

C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)F

InChI

InChI=1S/C18F36O6/c19-1(55)2(20,8(27,28)29)56-15(47,48)4(23,10(33,34)35)58-17(51,52)6(25,12(39,40)41)60-18(53,54)7(26,13(42,43)44)59-16(49,50)5(24,11(36,37)38)57-14(45,46)3(21,22)9(30,31)32

InChIKey

VOAMXAGBQIGIEI-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propanoyl fluoride

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	996.91928	236.8
[M+Na]+	1018.9012	237.7
[M-H]-	994.90472	251.5
[M+NH4]+	1013.9458	250.6
[M+K]+	1034.8752	253.0
[M+H-H2O]+	978.90926	224.9
[M+HCOO]-	1040.9102	249.4
[M+CH3COO]-	1054.9259	276.1
[M+Na-2H]-	1016.8867	239.8
[M]+	995.91145	233.7
[M]-	995.91255	233.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

996.91928

236.8

[M+Na]+

1018.9012

237.7

[M-H]-

994.90472

251.5

[M+NH4]+

1013.9458

250.6

[M+K]+

1034.8752

253.0

[M+H-H2O]+

978.90926

224.9

[M+HCOO]-

1040.9102

249.4

[M+CH3COO]-

1054.9259

276.1

[M+Na-2H]-

1016.8867

239.8

[M]+

995.91145

233.7

[M]-

995.91255

233.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3,6,9,12,15-pentaoxaoctadecanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,17,18,18,18-eicosafluoro-2,5,8,11,14-pentakis(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe