CID 16791181

1172782-73-8

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

CN(C)C1=C(C=CC=C1Cl)N

InChI

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

InChIKey

XLWFQIZMKGILGI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 170.06108 Da
Monoisotopic Mass: 2.0
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]+	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

No literature data available for this compound.

Patent stripe

patents stripe