CID 3003268

4-propylsulfonylbenzenecarbothioamide

Structural Information

Molecular Formula
C10H13NO2S2
SMILES
CCCS(=O)(=O)C1=CC=C(C=C1)C(=S)N
InChI
InChI=1S/C10H13NO2S2/c1-2-7-15(12,13)9-5-3-8(4-6-9)10(11)14/h3-6H,2,7H2,1H3,(H2,11,14)
InChIKey
YXCBNROZUYUICX-UHFFFAOYSA-N
Compound name
4-propylsulfonylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.03877 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04605 151.3
[M+Na]+ 266.02799 158.8
[M-H]- 242.03149 154.1
[M+NH4]+ 261.07259 168.7
[M+K]+ 282.00193 153.3
[M+H-H2O]+ 226.03603 145.2
[M+HCOO]- 288.03697 162.9
[M+CH3COO]- 302.05262 190.9
[M+Na-2H]- 264.01344 152.0
[M]+ 243.03822 152.5
[M]- 243.03932 152.5
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.