CID 295155

17332-26-2

Structural Information

Molecular Formula
C15H12ClNO3
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H12ClNO3/c1-9-12(16)7-4-8-13(9)17-14(18)10-5-2-3-6-11(10)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKey
GQCLHBMPPLQYMC-UHFFFAOYSA-N
Compound name
2-[(3-chloro-2-methylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.05057 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05785 163.2
[M+Na]+ 312.03979 177.1
[M+NH4]+ 307.08439 170.6
[M+K]+ 328.01373 170.5
[M-H]- 288.04329 166.8
[M+Na-2H]- 310.02524 170.9
[M]+ 289.05002 166.4
[M]- 289.05112 166.4
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