CID 43298928

3-amino-4-sulfanylbenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C6H8N2O2S2
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)N)S
InChI
InChI=1S/C6H8N2O2S2/c7-5-3-4(12(8,9)10)1-2-6(5)11/h1-3,11H,7H2,(H2,8,9,10)
InChIKey
DJGRGJCBWPRBPI-UHFFFAOYSA-N
Compound name
3-amino-4-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.00272 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01000 138.5
[M+Na]+ 226.99194 147.5
[M-H]- 202.99544 141.3
[M+NH4]+ 222.03654 157.0
[M+K]+ 242.96588 142.3
[M+H-H2O]+ 186.99998 132.5
[M+HCOO]- 249.00092 152.2
[M+CH3COO]- 263.01657 184.6
[M+Na-2H]- 224.97739 140.9
[M]+ 204.00217 137.9
[M]- 204.00327 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe