CID 2737594

5-fluoro-2-(trifluoromethyl)phenylacetic acid

Structural Information

Molecular Formula
C9H6F4O2
SMILES
C1=CC(=C(C=C1F)CC(=O)O)C(F)(F)F
InChI
InChI=1S/C9H6F4O2/c10-6-1-2-7(9(11,12)13)5(3-6)4-8(14)15/h1-3H,4H2,(H,14,15)
InChIKey
GWWZRGDMAFXULO-UHFFFAOYSA-N
Compound name
2-[5-fluoro-2-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

222.0304 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03768 152.9
[M+Na]+ 245.01962 160.4
[M+NH4]+ 240.06422 156.8
[M+K]+ 260.99356 156.2
[M-H]- 221.02312 147.7
[M+Na-2H]- 243.00507 154.9
[M]+ 222.02985 152.1
[M]- 222.03095 152.1
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