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

185
Patents

213.98648 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.99376 131.3
[M+Na]+ 236.97570 140.7
[M-H]- 212.97920 122.2
[M+NH4]+ 232.02030 148.9
[M+K]+ 252.94964 139.2
[M+H-H2O]+ 196.98374 122.7
[M+HCOO]- 258.98468 141.8
[M+CH3COO]- 273.00033 182.5
[M+Na-2H]- 234.96115 136.1
[M]+ 213.98593 120.3
[M]- 213.98703 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