CID 139597505

Perfluoropentane dienoic acid

Structural Information

Molecular Formula
C5HF5O2
SMILES
C(=C(/C(=O)O)\F)(\C(=C(F)F)F)/F
InChI
InChI=1S/C5HF5O2/c6-1(2(7)4(9)10)3(8)5(11)12/h(H,11,12)/b3-1+
InChIKey
VPLLSESAUGXCDS-HNQUOIGGSA-N
Compound name
(2E)-2,3,4,5,5-pentafluoropenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

187.98967 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99695 128.9
[M+Na]+ 210.97889 136.2
[M-H]- 186.98239 121.5
[M+NH4]+ 206.02349 147.1
[M+K]+ 226.95283 134.6
[M+H-H2O]+ 170.98693 120.5
[M+HCOO]- 232.98787 142.4
[M+CH3COO]- 247.00352 180.0
[M+Na-2H]- 208.96434 127.0
[M]+ 187.98912 119.0
[M]- 187.99022 119.0
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.