CID 683563

Thiobenzamide

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)

InChIKey

QIOZLISABUUKJY-UHFFFAOYSA-N

Compound name

benzenecarbothioamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 99
References: 6232
Patents: 137.02992 Da
Monoisotopic Mass: 1.5
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]+	138.03720	124.9
[M+Na]+	160.01914	132.6
[M-H]-	136.02264	128.4
[M+NH4]+	155.06374	146.5
[M+K]+	175.99308	129.5
[M+H-H2O]+	120.02718	119.4
[M+HCOO]-	182.02812	144.2
[M+CH3COO]-	196.04377	173.2
[M+Na-2H]-	158.00459	128.9
[M]+	137.02937	123.1
[M]-	137.03047	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe