CID 80180

6085-59-2

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

CN(C)C1=C(C=C(C=C1)N)Cl

InChI

InChI=1S/C8H11ClN2/c1-11(2)8-4-3-6(10)5-7(8)9/h3-5H,10H2,1-2H3

InChIKey

AMQHNJUMJKWREE-UHFFFAOYSA-N

Compound name

2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 170.06108 Da
Monoisotopic Mass: 2.2
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]+	171.06836	133.5
[M+Na]+	193.05030	146.6
[M+NH4]+	188.09490	143.2
[M+K]+	209.02424	139.8
[M-H]-	169.05380	137.7
[M+Na-2H]-	191.03575	141.3
[M]+	170.06053	136.8
[M]-	170.06163	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe