CID 592772

2-(2-chloro-5-methylbenzoyl)benzoic acid

Structural Information

Molecular Formula
C15H11ClO3
SMILES
CC1=CC(=C(C=C1)Cl)C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H11ClO3/c1-9-6-7-13(16)12(8-9)14(17)10-4-2-3-5-11(10)15(18)19/h2-8H,1H3,(H,18,19)
InChIKey
OACHMRGCIDBGJG-UHFFFAOYSA-N
Compound name
2-(2-chloro-5-methylbenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.03967 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04695 156.5
[M+Na]+ 297.02889 165.8
[M-H]- 273.03239 162.6
[M+NH4]+ 292.07349 173.0
[M+K]+ 313.00283 160.6
[M+H-H2O]+ 257.03693 150.7
[M+HCOO]- 319.03787 173.7
[M+CH3COO]- 333.05352 196.0
[M+Na-2H]- 295.01434 158.8
[M]+ 274.03912 159.3
[M]- 274.04022 159.3
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

No patent data available for this compound.