CID 3003267

4-methanesulfonylbenzene-1-carbothioamide

Structural Information

Molecular Formula
C8H9NO2S2
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(=S)N
InChI
InChI=1S/C8H9NO2S2/c1-13(10,11)7-4-2-6(3-5-7)8(9)12/h2-5H,1H3,(H2,9,12)
InChIKey
GLMBGLFCFNSJIM-UHFFFAOYSA-N
Compound name
4-methylsulfonylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00748 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01476 142.8
[M+Na]+ 237.99670 151.2
[M-H]- 214.00020 146.0
[M+NH4]+ 233.04130 161.3
[M+K]+ 253.97064 146.2
[M+H-H2O]+ 198.00474 137.1
[M+HCOO]- 260.00568 155.1
[M+CH3COO]- 274.02133 184.9
[M+Na-2H]- 235.98215 144.4
[M]+ 215.00693 143.3
[M]- 215.00803 143.3
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.