CID 1752534

2,2,3,3,4,4-hexafluorobutyric acid

Structural Information

Molecular Formula
C4H2F6O2
SMILES
C(C(C(C(=O)O)(F)F)(F)F)(F)F
InChI
InChI=1S/C4H2F6O2/c5-1(6)3(7,8)4(9,10)2(11)12/h1H,(H,11,12)
InChIKey
ACPUHIQZFSBBGQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4-hexafluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

181
Patents

195.9959 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00318 128.4
[M+Na]+ 218.98512 136.9
[M-H]- 194.98862 120.2
[M+NH4]+ 214.02972 146.5
[M+K]+ 234.95906 135.8
[M+H-H2O]+ 178.99316 120.1
[M+HCOO]- 240.99410 140.5
[M+CH3COO]- 255.00975 181.1
[M+Na-2H]- 216.97057 131.6
[M]+ 195.99535 119.0
[M]- 195.99645 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

literature stripe

Patent stripe

patents stripe