CID 168509883

H-u-pfos

Structural Information

Molecular Formula
C8H2F14O3S
SMILES
C(=C(/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\S(=O)(=O)O
InChI
InChI=1S/C8H2F14O3S/c9-2(1-26(23,24)25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1H,(H,23,24,25)/b2-1-
InChIKey
HUYNMWRJZUQGBR-UPHRSURJSA-N
Compound name
(Z)-2,3,3,4,4,5,5,6,6,7,7,8,8,8-tetradecafluorooct-1-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.9501 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.957376 174.6
[M+Na]+ 466.939318 162.8
[M-H]- 442.942824 163.0
[M+NH4]+ 461.983923 166.0
[M+K]+ 482.913258 178.8
[M+H-H2O]+ 426.947360 160.4
[M+HCOO]- 488.948301 177.0
[M+CH3COO]- 502.963951 220.6
[M+Na-2H]- 464.924766 176.5
[M]+ 443.94955142 158.3
[M]- 443.95064858 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.