CID 2987122

94398-04-6

Structural Information

Molecular Formula
C14H11ClN2O2
SMILES
C1=CC=C(C=C1)C(=O)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H11ClN2O2/c15-11-7-4-8-12(9-11)16-14(19)17-13(18)10-5-2-1-3-6-10/h1-9H,(H2,16,17,18,19)
InChIKey
AVXCFLXNSZLHQL-UHFFFAOYSA-N
Compound name
N-[(3-chlorophenyl)carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0509 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.058176 160.0
[M+Na]+ 297.040118 166.8
[M-H]- 273.043624 166.7
[M+NH4]+ 292.084723 176.1
[M+K]+ 313.014058 161.9
[M+H-H2O]+ 257.048160 153.0
[M+HCOO]- 319.049101 180.8
[M+CH3COO]- 333.064751 199.0
[M+Na-2H]- 295.025566 165.2
[M]+ 274.05035142 160.4
[M]- 274.05144858 160.4
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

No patent data available for this compound.