CID 458233

2-[(2-hydroxy-4-methylphenyl)carbonyl]benzoic acid

Structural Information

Molecular Formula
C15H12O4
SMILES
CC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C15H12O4/c1-9-6-7-12(13(16)8-9)14(17)10-4-2-3-5-11(10)15(18)19/h2-8,16H,1H3,(H,18,19)
InChIKey
UBFDXTQRYFAZOJ-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-4-methylbenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

16
Patents

256.07355 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.080826 154.6
[M+Na]+ 279.062768 162.4
[M-H]- 255.066274 159.4
[M+NH4]+ 274.107373 170.1
[M+K]+ 295.036708 158.9
[M+H-H2O]+ 239.070810 147.9
[M+HCOO]- 301.071751 174.9
[M+CH3COO]- 315.087401 192.0
[M+Na-2H]- 277.048216 156.8
[M]+ 256.07300142 154.7
[M]- 256.07409858 154.7
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