CID 120210

Perfluoroisobutyric acid

Structural Information

Molecular Formula
C4HF7O2
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)F)O
InChI
InChI=1S/C4HF7O2/c5-2(1(12)13,3(6,7)8)4(9,10)11/h(H,12,13)
InChIKey
YJDMCDWHXOSSHI-UHFFFAOYSA-N
Compound name
2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

183
Patents

213.98648 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.993756 131.3
[M+Na]+ 236.975698 140.7
[M-H]- 212.979204 122.2
[M+NH4]+ 232.020303 148.9
[M+K]+ 252.949638 139.2
[M+H-H2O]+ 196.983740 122.7
[M+HCOO]- 258.984681 141.8
[M+CH3COO]- 273.000331 182.5
[M+Na-2H]- 234.961146 136.1
[M]+ 213.98593142 120.3
[M]- 213.98702858 120.3
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