CID 186639

Perfluorovinylacetic acid

Structural Information

Molecular Formula
C4HF5O2
SMILES
C(=C(F)F)(C(C(=O)O)(F)F)F
InChI
InChI=1S/C4HF5O2/c5-1(2(6)7)4(8,9)3(10)11/h(H,10,11)
InChIKey
JULFZFLHGXXVRA-UHFFFAOYSA-N
Compound name
2,2,3,4,4-pentafluorobut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

175.98967 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.996946 124.9
[M+Na]+ 198.978888 133.1
[M-H]- 174.982394 117.7
[M+NH4]+ 194.023493 143.8
[M+K]+ 214.952828 131.8
[M+H-H2O]+ 158.986930 117.0
[M+HCOO]- 220.987871 138.9
[M+CH3COO]- 235.003521 176.9
[M+Na-2H]- 196.964336 126.7
[M]+ 175.98912142 116.0
[M]- 175.99021858 116.0
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

patents stripe