CID 264999

42837-74-1

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂

SMILES

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

InChI

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

InChIKey

LKEGCXYQDMPMDD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
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	146.1
[M+Na]+	241.05030	154.6
[M-H]-	217.05380	152.5
[M+NH4]+	236.09490	164.7
[M+K]+	257.02424	148.8
[M+H-H2O]+	201.05834	139.7
[M+HCOO]-	263.05928	168.0
[M+CH3COO]-	277.07493	159.2
[M+Na-2H]-	239.03575	152.9
[M]+	218.06053	145.1
[M]-	218.06163	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe