CID 13700183

81483-21-8

Structural Information

Molecular Formula

C₆H₇NO₃S₂

SMILES

C1=CC(=C(C=C1S(=O)(=O)O)N)S

InChI

InChI=1S/C6H7NO3S2/c7-5-3-4(12(8,9)10)1-2-6(5)11/h1-3,11H,7H2,(H,8,9,10)

InChIKey

OQOSNFWADUEBEP-UHFFFAOYSA-N

Compound name

3-amino-4-sulfanylbenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 204.98674 Da
Monoisotopic Mass: 0.1
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]+	205.99402	140.5
[M+Na]+	227.97596	150.4
[M+NH4]+	223.02056	148.0
[M+K]+	243.94990	143.1
[M-H]-	203.97946	141.2
[M+Na-2H]-	225.96141	144.4
[M]+	204.98619	142.9
[M]-	204.98729	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe