CID 295154

3'-chloro-4'-methylphthalanilic acid

Structural Information

Molecular Formula
C15H12ClNO3
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)Cl
InChI
InChI=1S/C15H12ClNO3/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKey
KOYNWVOKPNESLL-UHFFFAOYSA-N
Compound name
2-[(3-chloro-4-methylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 162.1
[M+Na]+ 312.03979 170.5
[M-H]- 288.04329 168.1
[M+NH4]+ 307.08439 177.7
[M+K]+ 328.01373 165.3
[M+H-H2O]+ 272.04783 155.9
[M+HCOO]- 334.04877 180.3
[M+CH3COO]- 348.06442 200.4
[M+Na-2H]- 310.02524 164.6
[M]+ 289.05002 164.1
[M]- 289.05112 164.1
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