CID 485436

5635-67-6

Structural Information

Molecular Formula

SMILES

CNCC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C8H9Cl2N/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3

InChIKey

XOEHPEYVNJXYEN-UHFFFAOYSA-N

Compound name

1-(3,4-dichlorophenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 206
Patents: 189.0112 Da
Monoisotopic Mass: 3.0
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]+	190.01848	135.1
[M+Na]+	212.00042	150.1
[M+NH4]+	207.04502	145.3
[M+K]+	227.97436	141.5
[M-H]-	188.00392	138.7
[M+Na-2H]-	209.98587	143.5
[M]+	189.01065	139.0
[M]-	189.01175	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe