CID 2756559

4-aminothiobenzamide

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C(=S)N)N

InChI

InChI=1S/C7H8N2S/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)

InChIKey

LZJVSPPXXGXGQL-UHFFFAOYSA-N

Compound name

4-aminobenzenecarbothioamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 117
Patents: 152.04082 Da
Monoisotopic Mass: 1.1
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]+	153.048096	128.9
[M+Na]+	175.030038	136.6
[M-H]-	151.033544	132.0
[M+NH4]+	170.074643	149.5
[M+K]+	191.003978	132.9
[M+H-H2O]+	135.038080	123.1
[M+HCOO]-	197.039021	148.5
[M+CH3COO]-	211.054671	178.6
[M+Na-2H]-	173.015486	131.6
[M]+	152.04027142	125.7
[M]-	152.04136858	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe