CID 1486238

4-[(4-bromophenyl)sulfanyl]aniline hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₀BrNS

SMILES

C1=CC(=CC=C1N)SC2=CC=C(C=C2)Br

InChI

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

InChIKey

QTWFAGQWNPNBFR-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)sulfanylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 278.97174 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]+	279.97902	139.8
[M+Na]+	301.96096	145.2
[M+NH4]+	297.00556	146.6
[M+K]+	317.93490	142.1
[M-H]-	277.96446	144.3
[M+Na-2H]-	299.94641	147.1
[M]+	278.97119	141.3
[M]-	278.97229	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe