CID 211462

23173-38-8

Structural Information

Molecular Formula

C₁₂H₁₇Cl₂N

SMILES

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

InChI

InChI=1S/C12H17Cl2N/c1-10(15(2)9-8-13)12(14)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3

InChIKey

VXSUWEMWCLTDTA-UHFFFAOYSA-N

Compound name

1-chloro-N-(2-chloroethyl)-N-methyl-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.0738 Da
Monoisotopic Mass: 3.4
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]+	246.08108	154.6
[M+Na]+	268.06302	160.7
[M-H]-	244.06652	158.2
[M+NH4]+	263.10762	173.4
[M+K]+	284.03696	156.6
[M+H-H2O]+	228.07106	149.6
[M+HCOO]-	290.07200	168.1
[M+CH3COO]-	304.08765	198.8
[M+Na-2H]-	266.04847	157.0
[M]+	245.07325	158.1
[M]-	245.07435	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe