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]+ 312.95754 146.4
[M+Na]+ 334.93948 154.9
[M-H]- 310.94298 134.5
[M+NH4]+ 329.98408 159.7
[M+K]+ 350.91342 151.8
[M+H-H2O]+ 294.94752 135.4
[M+HCOO]- 356.94846 147.4
[M+CH3COO]- 370.96411 196.7
[M+Na-2H]- 332.92493 147.2
[M]+ 311.94971 134.0
[M]- 311.95081 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.