CID 94028

58359-53-8

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₂S

SMILES

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

InChI

InChI=1S/C12H9ClN2O2S/c13-18(16,17)12-8-6-11(7-9-12)15-14-10-4-2-1-3-5-10/h1-9H

InChIKey

UEAZPVORQYDKHZ-UHFFFAOYSA-N

Compound name

4-phenyldiazenylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 76
Patents: 280.00732 Da
Monoisotopic Mass: 4.1
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]+	281.01460	159.4
[M+Na]+	302.99654	173.6
[M+NH4]+	298.04114	168.3
[M+K]+	318.97048	163.7
[M-H]-	279.00004	164.9
[M+Na-2H]-	300.98199	169.8
[M]+	280.00677	163.8
[M]-	280.00787	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe