PubChemLite - 27617-34-1 (C18H3F35O6)

Structural Information

Molecular Formula

SMILES

C(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)O

InChI

InChI=1S/C18H3F35O6/c19-2(1-54,8(26,27)28)55-15(46,47)4(22,10(32,33)34)57-17(50,51)6(24,12(38,39)40)59-18(52,53)7(25,13(41,42)43)58-16(48,49)5(23,11(35,36)37)56-14(44,45)3(20,21)9(29,30)31/h54H,1H2

InChIKey

AUFAGMAKCNOJNR-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]propan-1-ol

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]+	980.94438	229.9
[M+Na]+	1002.9263	230.0
[M-H]-	978.92982	243.8
[M+NH4]+	997.97092	242.4
[M+K]+	1018.9003	245.6
[M+H-H2O]+	962.93436	217.0
[M+HCOO]-	1024.9353	243.1
[M+CH3COO]-	1038.9510	275.3
[M+Na-2H]-	1000.9118	232.5
[M]+	979.93655	227.2
[M]-	979.93765	227.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

980.94438

229.9

[M+Na]+

1002.9263

230.0

[M-H]-

978.92982

243.8

[M+NH4]+

997.97092

242.4

[M+K]+

1018.9003

245.6

[M+H-H2O]+

962.93436

217.0

[M+HCOO]-

1024.9353

243.1

[M+CH3COO]-

1038.9510

275.3

[M+Na-2H]-

1000.9118

232.5

[M]+

979.93655

227.2

[M]-

979.93765

227.2

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

27617-34-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe