CID 32679

Aniline, n,n-bis(2-chloroethyl)-m-nitro-

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂N₂O₂

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C10H12Cl2N2O2/c11-4-6-13(7-5-12)9-2-1-3-10(8-9)14(15)16/h1-3,8H,4-7H2

InChIKey

YGMKECHJXDTTCK-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-3-nitroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 262.0276 Da
Monoisotopic Mass: 3.3
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]+	263.03488	153.1
[M+Na]+	285.01682	166.9
[M+NH4]+	280.06142	161.9
[M+K]+	300.99076	161.5
[M-H]-	261.02032	157.2
[M+Na-2H]-	283.00227	160.0
[M]+	262.02705	156.7
[M]-	262.02815	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe