CID 2758545

2-(3,4-dimethylphenyl)benzoic acid

Structural Information

Molecular Formula
C15H14O2
SMILES
CC1=C(C=C(C=C1)C2=CC=CC=C2C(=O)O)C
InChI
InChI=1S/C15H14O2/c1-10-7-8-12(9-11(10)2)13-5-3-4-6-14(13)15(16)17/h3-9H,1-2H3,(H,16,17)
InChIKey
QPPQJMQIRMMOPR-UHFFFAOYSA-N
Compound name
2-(3,4-dimethylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

226.09938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 150.6
[M+Na]+ 249.08860 165.8
[M+NH4]+ 244.13320 159.3
[M+K]+ 265.06254 158.4
[M-H]- 225.09210 155.0
[M+Na-2H]- 247.07405 159.5
[M]+ 226.09883 154.1
[M]- 226.09993 154.1
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