CID 4102909

3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid

Structural Information

Molecular Formula
C14H10Cl2N2O3
SMILES
C1=CC(=CC(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKey
RAPJIPXYCVHSNT-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

324.00684 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.01412 167.9
[M+Na]+ 346.99606 176.3
[M-H]- 322.99956 173.3
[M+NH4]+ 342.04066 182.3
[M+K]+ 362.97000 170.2
[M+H-H2O]+ 307.00410 162.4
[M+HCOO]- 369.00504 182.5
[M+CH3COO]- 383.02069 206.3
[M+Na-2H]- 344.98151 170.7
[M]+ 324.00629 170.4
[M]- 324.00739 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe