CID 312248

O-ethyl 4-(ethylsulfamoyl)benzenecarbothioate

Structural Information

Molecular Formula
C11H15NO3S2
SMILES
CCNS(=O)(=O)C1=CC=C(C=C1)C(=S)OCC
InChI
InChI=1S/C11H15NO3S2/c1-3-12-17(13,14)10-7-5-9(6-8-10)11(16)15-4-2/h5-8,12H,3-4H2,1-2H3
InChIKey
FUKLOBPKALKISO-UHFFFAOYSA-N
Compound name
O-ethyl 4-(ethylsulfamoyl)benzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.04935 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.05663 159.1
[M+Na]+ 296.03857 165.9
[M-H]- 272.04207 162.1
[M+NH4]+ 291.08317 175.4
[M+K]+ 312.01251 161.1
[M+H-H2O]+ 256.04661 152.5
[M+HCOO]- 318.04755 171.2
[M+CH3COO]- 332.06320 195.8
[M+Na-2H]- 294.02402 160.5
[M]+ 273.04880 162.8
[M]- 273.04990 162.8
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.