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]+ 444.95738 174.6
[M+Na]+ 466.93932 162.8
[M-H]- 442.94282 163.0
[M+NH4]+ 461.98392 166.0
[M+K]+ 482.91326 178.8
[M+H-H2O]+ 426.94736 160.4
[M+HCOO]- 488.94830 177.0
[M+CH3COO]- 502.96395 220.6
[M+Na-2H]- 464.92477 176.5
[M]+ 443.94955 158.3
[M]- 443.95065 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.