CID 853791

1566-89-8

Structural Information

Molecular Formula
C14H11ClN2O3
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H11ClN2O3/c15-9-5-7-10(8-6-9)16-14(20)17-12-4-2-1-3-11(12)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)
InChIKey
GFSBFEFJWQVKFS-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)carbamoylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

35
Patents

290.0458 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.053076 162.4
[M+Na]+ 313.035018 169.4
[M-H]- 289.038524 168.0
[M+NH4]+ 308.079623 177.2
[M+K]+ 329.008958 164.5
[M+H-H2O]+ 273.043060 155.7
[M+HCOO]- 335.044001 181.9
[M+CH3COO]- 349.059651 200.7
[M+Na-2H]- 311.020466 166.5
[M]+ 290.04525142 162.9
[M]- 290.04634858 162.9
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