CID 312247

O-ethyl 4-(methylsulfamoyl)benzenecarbothioate

Structural Information

Molecular Formula
C10H13NO3S2
SMILES
CCOC(=S)C1=CC=C(C=C1)S(=O)(=O)NC
InChI
InChI=1S/C10H13NO3S2/c1-3-14-10(15)8-4-6-9(7-5-8)16(12,13)11-2/h4-7,11H,3H2,1-2H3
InChIKey
ZGQJDSQLJQOZKA-UHFFFAOYSA-N
Compound name
O-ethyl 4-(methylsulfamoyl)benzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0337 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04098 154.8
[M+Na]+ 282.02292 162.1
[M-H]- 258.02642 158.1
[M+NH4]+ 277.06752 171.7
[M+K]+ 297.99686 157.5
[M+H-H2O]+ 242.03096 148.4
[M+HCOO]- 304.03190 167.3
[M+CH3COO]- 318.04755 192.9
[M+Na-2H]- 280.00837 156.7
[M]+ 259.03315 158.3
[M]- 259.03425 158.3
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.