CID 11108

N,n-bis(2-chloroethyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₃Cl₂N

SMILES

C1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C10H13Cl2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

ROSJKFFLIXTTAW-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 96
References: 682
Patents: 217.04251 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]+	218.04979	144.9
[M+Na]+	240.03173	159.0
[M+NH4]+	235.07633	155.0
[M+K]+	256.00567	149.9
[M-H]-	216.03523	148.7
[M+Na-2H]-	238.01718	153.4
[M]+	217.04196	148.7
[M]-	217.04306	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe