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

4
Patents

204.03981 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04709 135.8
[M+Na]+ 227.02903 145.5
[M-H]- 203.03253 135.1
[M+NH4]+ 222.07363 154.6
[M+K]+ 243.00297 142.8
[M+H-H2O]+ 187.03707 128.3
[M+HCOO]- 249.03801 154.3
[M+CH3COO]- 263.05366 185.4
[M+Na-2H]- 225.01448 137.3
[M]+ 204.03926 132.4
[M]- 204.04036 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