CID 3034778

Benzenesulfonic acid, 4-[2-(aminothioxomethyl)hydrazino]-, monopotassium salt

Structural Information

Molecular Formula
C7H9N3O3S2
SMILES
C1=CC(=CC=C1NNC(=S)N)S(=O)(=O)O
InChI
InChI=1S/C7H9N3O3S2/c8-7(14)10-9-5-1-3-6(4-2-5)15(11,12)13/h1-4,9H,(H3,8,10,14)(H,11,12,13)
InChIKey
QAZGMZLTVBQCOO-UHFFFAOYSA-N
Compound name
4-(2-carbamothioylhydrazinyl)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

247.00853 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01581 148.3
[M+Na]+ 269.99775 154.4
[M-H]- 246.00125 149.3
[M+NH4]+ 265.04235 163.6
[M+K]+ 285.97169 148.7
[M+H-H2O]+ 230.00579 141.5
[M+HCOO]- 292.00673 161.1
[M+CH3COO]- 306.02238 191.4
[M+Na-2H]- 267.98320 151.7
[M]+ 247.00798 146.0
[M]- 247.00908 146.0
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

No patent data available for this compound.