CID 139594482

(3e)-perfluoropent-3-ene-1-sulfonic acid

Structural Information

Molecular Formula
C5HF9O3S
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(F)(F)S(=O)(=O)O)(F)F)/F
InChI
InChI=1S/C5HF9O3S/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)18(15,16)17/h(H,15,16,17)/b2-1+
InChIKey
CBKDCXTWOFDRGE-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

311.95026 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.957536 146.4
[M+Na]+ 334.939478 154.9
[M-H]- 310.942984 134.5
[M+NH4]+ 329.984083 159.7
[M+K]+ 350.913418 151.8
[M+H-H2O]+ 294.947520 135.4
[M+HCOO]- 356.948461 147.4
[M+CH3COO]- 370.964111 196.7
[M+Na-2H]- 332.924926 147.2
[M]+ 311.94971142 134.0
[M]- 311.95080858 134.0
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.