CID 87900531

(e)-perfluorobut-2-ene-1-sulfonic acid

Structural Information

Molecular Formula
C4HF7O3S
SMILES
C(=C(/C(F)(F)S(=O)(=O)O)\F)(\C(F)(F)F)/F
InChI
InChI=1S/C4HF7O3S/c5-1(3(7,8)9)2(6)4(10,11)15(12,13)14/h(H,12,13,14)/b2-1+
InChIKey
URXDZXVKSSRSJY-OWOJBTEDSA-N
Compound name
(E)-1,1,2,3,4,4,4-heptafluorobut-2-ene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

261.95346 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.96074 137.5
[M+Na]+ 284.94268 146.2
[M-H]- 260.94618 128.0
[M+NH4]+ 279.98728 153.1
[M+K]+ 300.91662 143.4
[M+H-H2O]+ 244.95072 128.0
[M+HCOO]- 306.95166 142.3
[M+CH3COO]- 320.96731 187.2
[M+Na-2H]- 282.92813 138.5
[M]+ 261.95291 128.2
[M]- 261.95401 128.2
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.