CID 84650294

3-fluoro-2,2-bis(fluoromethyl)propanoic acid

Structural Information

Molecular Formula
C5H7F3O2
SMILES
C(C(CF)(CF)C(=O)O)F
InChI
InChI=1S/C5H7F3O2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H,9,10)
InChIKey
VFBCFXACWQKGCX-UHFFFAOYSA-N
Compound name
3-fluoro-2,2-bis(fluoromethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

156.03981 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04709 126.6
[M+Na]+ 179.02903 134.4
[M-H]- 155.03253 121.8
[M+NH4]+ 174.07363 146.8
[M+K]+ 195.00297 133.4
[M+H-H2O]+ 139.03707 120.3
[M+HCOO]- 201.03801 144.2
[M+CH3COO]- 215.05366 173.9
[M+Na-2H]- 177.01448 131.4
[M]+ 156.03926 122.9
[M]- 156.04036 122.9
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