CID 1781966

17304-59-5

Structural Information

Molecular Formula

C₆H₇NO₃S₂

SMILES

C1=CC(=CC=C1N)SS(=O)(=O)O

InChI

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

InChIKey

WVTDQUZASXFHMT-UHFFFAOYSA-N

Compound name

1-amino-4-sulfosulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 204.98674 Da
Monoisotopic Mass: 0.4
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	139.8
[M+Na]+	227.97596	149.3
[M+NH4]+	223.02056	147.3
[M+K]+	243.94990	141.8
[M-H]-	203.97946	140.4
[M+Na-2H]-	225.96141	144.0
[M]+	204.98619	142.1
[M]-	204.98729	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe