CID 2758547

122294-09-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

226.09938 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 149.1
[M+Na]+ 249.088598 157.6
[M-H]- 225.092104 155.2
[M+NH4]+ 244.133203 166.9
[M+K]+ 265.062538 153.7
[M+H-H2O]+ 209.096640 142.5
[M+HCOO]- 271.097581 171.3
[M+CH3COO]- 285.113231 190.0
[M+Na-2H]- 247.074046 152.9
[M]+ 226.09883142 149.4
[M]- 226.09992858 149.4
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