CID 109896

4-amino-2-chloroazobenzene

Structural Information

Molecular Formula

C₁₂H₁₀ClN₃

SMILES

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

InChI

InChI=1S/C12H10ClN3/c13-11-8-9(14)6-7-12(11)16-15-10-4-2-1-3-5-10/h1-8H,14H2

InChIKey

BPWATVQHGPVDSF-UHFFFAOYSA-N

Compound name

3-chloro-4-phenyldiazenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 231.05632 Da
Monoisotopic Mass: 3.6
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]+	232.06360	149.6
[M+Na]+	254.04554	158.5
[M-H]-	230.04904	158.8
[M+NH4]+	249.09014	168.7
[M+K]+	270.01948	153.8
[M+H-H2O]+	214.05358	142.2
[M+HCOO]-	276.05452	175.7
[M+CH3COO]-	290.07017	199.7
[M+Na-2H]-	252.03099	157.6
[M]+	231.05577	150.9
[M]-	231.05687	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe