CID 522323

68817-71-0

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂

SMILES

C1=CC=C(C(=C1)N)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN2/c13-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)14/h1-8,15H,14H2

InChIKey

WEUBIWJPIRTWDF-UHFFFAOYSA-N

Compound name

2-N-(4-chlorophenyl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 218.06108 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]+	219.06836	146.4
[M+Na]+	241.05030	161.6
[M+NH4]+	236.09490	156.6
[M+K]+	257.02424	152.7
[M-H]-	217.05380	153.1
[M+Na-2H]-	239.03575	157.2
[M]+	218.06053	150.9
[M]-	218.06163	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe