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 155.4
[M+Na]+ 273.08794 161.0
[M-H]- 249.09144 156.9
[M+NH4]+ 268.13254 173.0
[M+K]+ 289.06188 160.8
[M+H-H2O]+ 233.09598 149.7
[M+HCOO]- 295.09692 172.7
[M+CH3COO]- 309.11257 196.6
[M+Na-2H]- 271.07339 158.6
[M]+ 250.09817 160.2
[M]- 250.09927 160.2
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