PubChemLite - 3,6,9,12-tetraoxapentadecane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-eicosafluoro-5,8,11-tris(trifluoromethyl)- (C14HF29O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14HF29O4/c15-1(2(16,17)18)44-12(38,39)4(21,8(27,28)29)46-14(42,43)6(23,10(33,34)35)47-13(40,41)5(22,9(30,31)32)45-11(36,37)3(19,20)7(24,25)26/h1H

InChIKey

NOCLWIPRQIWFMR-UHFFFAOYSA-N

Compound name

1,1,1,2,3,3-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]-3-(1,2,2,2-tetrafluoroethoxy)propane

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]+	784.94844	202.7
[M+Na]+	806.93038	205.1
[M-H]-	782.93388	215.5
[M+NH4]+	801.97498	216.5
[M+K]+	822.90432	219.6
[M+H-H2O]+	766.93842	190.7
[M+HCOO]-	828.93936	218.3
[M+CH3COO]-	842.95501	266.9
[M+Na-2H]-	804.91583	204.9
[M]+	783.94061	200.3
[M]-	783.94171	200.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

784.94844

202.7

[M+Na]+

806.93038

205.1

[M-H]-

782.93388

215.5

[M+NH4]+

801.97498

216.5

[M+K]+

822.90432

219.6

[M+H-H2O]+

766.93842

190.7

[M+HCOO]-

828.93936

218.3

[M+CH3COO]-

842.95501

266.9

[M+Na-2H]-

804.91583

204.9

[M]+

783.94061

200.3

[M]-

783.94171

200.3

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-tetraoxapentadecane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-eicosafluoro-5,8,11-tris(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe