CID 62964091

2-(2,3,4-trifluorophenyl)propanoic acid

Structural Information

Molecular Formula
C9H7F3O2
SMILES
CC(C1=C(C(=C(C=C1)F)F)F)C(=O)O
InChI
InChI=1S/C9H7F3O2/c1-4(9(13)14)5-2-3-6(10)8(12)7(5)11/h2-4H,1H3,(H,13,14)
InChIKey
RCEBEQDVSUIPLN-UHFFFAOYSA-N
Compound name
2-(2,3,4-trifluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

204.03981 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.047086 135.8
[M+Na]+ 227.029028 145.5
[M-H]- 203.032534 135.1
[M+NH4]+ 222.073633 154.6
[M+K]+ 243.002968 142.8
[M+H-H2O]+ 187.037070 128.3
[M+HCOO]- 249.038011 154.3
[M+CH3COO]- 263.053661 185.4
[M+Na-2H]- 225.014476 137.3
[M]+ 204.03926142 132.4
[M]- 204.04035858 132.4
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