CID 11173537

273727-19-8

Structural Information

Molecular Formula
C15H11F3O2
SMILES
CC1=CC(=C(C=C1)C(=O)O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C15H11F3O2/c1-9-2-7-12(14(19)20)13(8-9)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKey
FFXVVIXBXBQZLL-UHFFFAOYSA-N
Compound name
4-methyl-2-[4-(trifluoromethyl)phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

280.0711 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07838 166.1
[M+Na]+ 303.06032 176.8
[M+NH4]+ 298.10492 171.4
[M+K]+ 319.03426 171.0
[M-H]- 279.06382 164.7
[M+Na-2H]- 301.04577 171.4
[M]+ 280.07055 167.1
[M]- 280.07165 167.1
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