CID 312246

O-ethyl 4-sulfamoylbenzenecarbothioate

Structural Information

Molecular Formula
C9H11NO3S2
SMILES
CCOC(=S)C1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C9H11NO3S2/c1-2-13-9(14)7-3-5-8(6-4-7)15(10,11)12/h3-6H,2H2,1H3,(H2,10,11,12)
InChIKey
NERSLKARRQELQG-UHFFFAOYSA-N
Compound name
O-ethyl 4-sulfamoylbenzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.01804 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.02532 151.0
[M+Na]+ 268.00726 158.7
[M-H]- 244.01076 153.8
[M+NH4]+ 263.05186 168.2
[M+K]+ 283.98120 153.9
[M+H-H2O]+ 228.01530 144.8
[M+HCOO]- 290.01624 163.1
[M+CH3COO]- 304.03189 189.3
[M+Na-2H]- 265.99271 152.3
[M]+ 245.01749 153.0
[M]- 245.01859 153.0
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.