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]+ 276.03588 159.1
[M+Na]+ 298.01782 165.4
[M-H]- 274.02132 161.9
[M+NH4]+ 293.06242 175.0
[M+K]+ 313.99176 161.3
[M+H-H2O]+ 258.02586 152.3
[M+HCOO]- 320.02680 171.9
[M+CH3COO]- 334.04245 193.1
[M+Na-2H]- 296.00327 161.9
[M]+ 275.02805 163.4
[M]- 275.02915 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.