CID 16770448

54057-49-7

Structural Information

Molecular Formula
C14H9Cl2NO3
SMILES
C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl2NO3/c15-10-5-9(6-11(16)7-10)13(18)17-12-3-1-8(2-4-12)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKey
LQMCIHFGIGMYME-UHFFFAOYSA-N
Compound name
4-[(3,5-dichlorobenzoyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

308.99594 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.00322 162.7
[M+Na]+ 331.98516 171.9
[M-H]- 307.98866 168.1
[M+NH4]+ 327.02976 177.9
[M+K]+ 347.95910 165.7
[M+H-H2O]+ 291.99320 157.5
[M+HCOO]- 353.99414 176.2
[M+CH3COO]- 368.00979 201.8
[M+Na-2H]- 329.97061 165.1
[M]+ 308.99539 165.8
[M]- 308.99649 165.8
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