CID 53446433

2-[2-(trifluoromethyl)phenyl]propanoic acid

Structural Information

Molecular Formula
C10H9F3O2
SMILES
CC(C1=CC=CC=C1C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H9F3O2/c1-6(9(14)15)7-4-2-3-5-8(7)10(11,12)13/h2-6H,1H3,(H,14,15)
InChIKey
JPPNPOBHKNSXQZ-UHFFFAOYSA-N
Compound name
2-[2-(trifluoromethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

218.05547 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06275 150.0
[M+Na]+ 241.04469 158.1
[M+NH4]+ 236.08929 154.8
[M+K]+ 257.01863 154.2
[M-H]- 217.04819 145.9
[M+Na-2H]- 239.03014 152.9
[M]+ 218.05492 149.6
[M]- 218.05602 149.6
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