CID 182355

4-chloro-2-methyl-6-nitroaniline

Structural Information

Molecular Formula

C₇H₇ClN₂O₂

SMILES

CC1=CC(=CC(=C1N)[N+](=O)[O-])Cl

InChI

InChI=1S/C7H7ClN2O2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,9H2,1H3

InChIKey

QDSCDFKGUAONPC-UHFFFAOYSA-N

Compound name

4-chloro-2-methyl-6-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 186.0196 Da
Monoisotopic Mass: 2.6
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]+	187.02688	132.9
[M+Na]+	209.00882	147.3
[M+NH4]+	204.05342	141.9
[M+K]+	224.98276	143.5
[M-H]-	185.01232	137.1
[M+Na-2H]-	206.99427	139.7
[M]+	186.01905	136.3
[M]-	186.02015	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe