CID 76100

O-(phenylazo)benzenesulphenyl bromide

Structural Information

Molecular Formula

C₁₂H₉BrN₂S

SMILES

C1=CC=C(C=C1)N=NC2=CC=CC=C2SBr

InChI

InChI=1S/C12H9BrN2S/c13-16-12-9-5-4-8-11(12)15-14-10-6-2-1-3-7-10/h1-9H

InChIKey

OGLDNEGRIQZFIY-UHFFFAOYSA-N

Compound name

(2-phenyldiazenylphenyl) thiohypobromite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 291.96698 Da
Monoisotopic Mass: 4.8
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]+	292.97426	145.6
[M+Na]+	314.95620	157.2
[M-H]-	290.95970	157.4
[M+NH4]+	310.00080	166.1
[M+K]+	330.93014	144.9
[M+H-H2O]+	274.96424	143.9
[M+HCOO]-	336.96518	168.2
[M+CH3COO]-	350.98083	161.3
[M+Na-2H]-	312.94165	154.4
[M]+	291.96643	166.6
[M]-	291.96753	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe