CID 44144434

Benzenamine, chloronitro-

Structural Information

Molecular Formula

C₆H₅ClN₂O₂

SMILES

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

InChI

InChI=1S/C6H5ClN2O2/c7-8(9(10)11)6-4-2-1-3-5-6/h1-5H

InChIKey

LHHIALSOMNPUOW-UHFFFAOYSA-N

Compound name

N-chloro-N-phenylnitramide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 318
Patents: 172.00395 Da
Monoisotopic Mass: 2.9
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]+	173.011226	130.3
[M+Na]+	194.993168	137.5
[M-H]-	170.996674	135.2
[M+NH4]+	190.037773	150.6
[M+K]+	210.967108	132.2
[M+H-H2O]+	155.001210	129.9
[M+HCOO]-	217.002151	153.9
[M+CH3COO]-	231.017801	175.8
[M+Na-2H]-	192.978616	139.6
[M]+	172.00340142	130.6
[M]-	172.00449858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe