CID 710871

2-chloro-n-methyl-4-nitrobenzamide

Structural Information

Molecular Formula

C₈H₇ClN₂O₃

SMILES

CNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C8H7ClN2O3/c1-10-8(12)6-3-2-5(11(13)14)4-7(6)9/h2-4H,1H3,(H,10,12)

InChIKey

JJHDDZVTQOVWRK-UHFFFAOYSA-N

Compound name

2-chloro-N-methyl-4-nitrobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 214.01453 Da
Monoisotopic Mass: 1.8
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]+	215.02181	139.9
[M+Na]+	237.00375	153.2
[M+NH4]+	232.04835	147.9
[M+K]+	252.97769	150.0
[M-H]-	213.00725	143.1
[M+Na-2H]-	234.98920	146.1
[M]+	214.01398	142.8
[M]-	214.01508	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe