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]+ 275.046946 156.5
[M+Na]+ 297.028888 165.8
[M-H]- 273.032394 162.6
[M+NH4]+ 292.073493 173.0
[M+K]+ 313.002828 160.6
[M+H-H2O]+ 257.036930 150.7
[M+HCOO]- 319.037871 173.7
[M+CH3COO]- 333.053521 196.0
[M+Na-2H]- 295.014336 158.8
[M]+ 274.03912142 159.3
[M]- 274.04021858 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.