CID 2787761

2-chloro-n-(4-nitrophenyl)benzamide

Structural Information

Molecular Formula

C₁₃H₉ClN₂O₃

SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H9ClN2O3/c14-12-4-2-1-3-11(12)13(17)15-9-5-7-10(8-6-9)16(18)19/h1-8H,(H,15,17)

InChIKey

JKUFTSLAJUZNNM-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-nitrophenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4
Patents: 276.03018 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.03746	157.1
[M+Na]+	299.01940	172.2
[M+NH4]+	294.06400	165.5
[M+K]+	314.99334	167.3
[M-H]-	275.02290	163.1
[M+Na-2H]-	297.00485	166.2
[M]+	276.02963	161.1
[M]-	276.03073	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe