CID 9600421

Ethyl (1e)-2-phenyl-n-(sulfooxy)ethanimidothioate

Structural Information

Molecular Formula
C10H13NO4S2
SMILES
CCS/C(=N\OS(=O)(=O)O)/CC1=CC=CC=C1
InChI
InChI=1S/C10H13NO4S2/c1-2-16-10(11-15-17(12,13)14)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13,14)/b11-10-
InChIKey
VZFUNHITNWTQFU-KHPPLWFESA-N
Compound name
ethyl (1Z)-2-phenyl-N-sulfooxyethanimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0286 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.035876 159.1
[M+Na]+ 298.017818 165.4
[M-H]- 274.021324 161.9
[M+NH4]+ 293.062423 175.0
[M+K]+ 313.991758 161.3
[M+H-H2O]+ 258.025860 152.3
[M+HCOO]- 320.026801 171.9
[M+CH3COO]- 334.042451 193.1
[M+Na-2H]- 296.003266 161.9
[M]+ 275.02805142 163.4
[M]- 275.02914858 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.