CID 160163

Benzenesulfonothioic acid, 4-methyl-, potassium salt

Structural Information

Molecular Formula
C7H8O2S2
SMILES
CC1=CC=C(C=C1)S(=O)(=S)O
InChI
InChI=1S/C7H8O2S2/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey
SSBBQNOCGGHKJQ-UHFFFAOYSA-N
Compound name
hydroxy-(4-methylphenyl)-oxo-sulfanylidene-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2377
Patents

187.99657 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00385 134.8
[M+Na]+ 210.98579 144.3
[M-H]- 186.98929 137.6
[M+NH4]+ 206.03039 154.6
[M+K]+ 226.95973 139.4
[M+H-H2O]+ 170.99383 130.0
[M+HCOO]- 232.99477 146.7
[M+CH3COO]- 247.01042 175.4
[M+Na-2H]- 208.97124 137.8
[M]+ 187.99602 136.3
[M]- 187.99712 136.3
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