CID 5491760

Thiofanox sulfone

Structural Information

Molecular Formula
C9H18N2O4S
SMILES
CC(C)(C)/C(=N/OC(=O)NC)/CS(=O)(=O)C
InChI
InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+
InChIKey
PZOIECHFNQBYRT-YRNVUSSQSA-N
Compound name
[(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

250.09872 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10600 158.9
[M+Na]+ 273.08794 163.9
[M+NH4]+ 268.13254 163.1
[M+K]+ 289.06188 160.6
[M-H]- 249.09144 155.6
[M+Na-2H]- 271.07339 159.1
[M]+ 250.09817 158.6
[M]- 250.09927 158.6
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

patents stripe