CID 22465757

171182-86-8

Structural Information

Molecular Formula

C₇H₄F₁₂O₃S

SMILES

C(COS(=O)(=O)C(F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H4F12O3S/c8-3(9,1-2-22-23(20,21)7(17,18)19)4(10,11)5(12,13)6(14,15)16/h1-2H2

InChIKey

BZPMRPBNUBBPDV-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,6-nonafluorohexyl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 395.96896 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

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]+	396.976236	168.3
[M+Na]+	418.958178	177.2
[M-H]-	394.961684	154.8
[M+NH4]+	414.002783	159.3
[M+K]+	434.932118	174.1
[M+H-H2O]+	378.966220	154.8
[M+HCOO]-	440.967161	174.5
[M+CH3COO]-	454.982811	214.4
[M+Na-2H]-	416.943626	171.3
[M]+	395.96841142	154.4
[M]-	395.96950858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe