CID 2734812

Benzenesulfonothioic acid, sodium salt (1:1)

Structural Information

Molecular Formula
C6H6O2S2
SMILES
C1=CC=C(C=C1)S(=O)(=S)O
InChI
InChI=1S/C6H6O2S2/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
InChIKey
AKCUHGBLDXXTOM-UHFFFAOYSA-N
Compound name
hydroxy-oxo-phenyl-sulfanylidene-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6737
Patents

173.98093 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98821 131.4
[M+Na]+ 196.97015 140.6
[M-H]- 172.97365 134.0
[M+NH4]+ 192.01475 151.5
[M+K]+ 212.94409 135.9
[M+H-H2O]+ 156.97819 126.6
[M+HCOO]- 218.97913 143.7
[M+CH3COO]- 232.99478 171.3
[M+Na-2H]- 194.95560 135.4
[M]+ 173.98038 132.1
[M]- 173.98148 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe