CID 12494174

63107-77-7

Structural Information

Molecular Formula

C₁₂H₁₀BrNS

SMILES

C1=CC=C(C(=C1)N)SC2=CC=CC=C2Br

InChI

InChI=1S/C12H10BrNS/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,14H2

InChIKey

ZASKDGHKVZJBKA-UHFFFAOYSA-N

Compound name

2-(2-bromophenyl)sulfanylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.97174 Da
Monoisotopic Mass: 4.0
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]+	279.97902	144.6
[M+Na]+	301.96096	156.7
[M-H]-	277.96446	153.8
[M+NH4]+	297.00556	164.7
[M+K]+	317.93490	143.2
[M+H-H2O]+	261.96900	144.2
[M+HCOO]-	323.96994	162.7
[M+CH3COO]-	337.98559	159.6
[M+Na-2H]-	299.94641	150.5
[M]+	278.97119	163.1
[M]-	278.97229	163.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.