CID 12474093

2103-95-9

Structural Information

Molecular Formula

C₉H₆BrNS₂

SMILES

C1=CC(=CC=C1C2=CSC(=S)N2)Br

InChI

InChI=1S/C9H6BrNS2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)

InChIKey

QNNMMIMBOFCDQK-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)-3H-1,3-thiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1642
Patents: 270.9125 Da
Monoisotopic Mass: 3.2
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]+	271.91978	129.5
[M+Na]+	293.90172	133.9
[M+NH4]+	288.94632	135.9
[M+K]+	309.87566	131.8
[M-H]-	269.90522	131.9
[M+Na-2H]-	291.88717	134.6
[M]+	270.91195	130.5
[M]-	270.91305	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe