CID 22617161

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
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 128.6
[M+Na]+ 218.98512 137.2
[M-H]- 194.98862 120.4
[M+NH4]+ 214.02972 146.8
[M+K]+ 234.95906 136.1
[M+H-H2O]+ 178.99316 120.3
[M+HCOO]- 240.99410 140.7
[M+CH3COO]- 255.00975 180.4
[M+Na-2H]- 216.97057 131.8
[M]+ 195.99535 119.1
[M]- 195.99645 119.1
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