CID 41385

Dimethipin

Structural Information

Molecular Formula
C6H10O4S2
SMILES
CC1=C(S(=O)(=O)CCS1(=O)=O)C
InChI
InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3
InChIKey
PHVNLLCAQHGNKU-UHFFFAOYSA-N
Compound name
5,6-dimethyl-2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

3
References

10416
Patents

210.00204 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00932 131.8
[M+Na]+ 232.99126 142.4
[M-H]- 208.99476 135.8
[M+NH4]+ 228.03586 155.1
[M+K]+ 248.96520 139.5
[M+H-H2O]+ 192.99930 128.9
[M+HCOO]- 255.00024 144.4
[M+CH3COO]- 269.01589 179.6
[M+Na-2H]- 230.97671 136.3
[M]+ 210.00149 135.8
[M]- 210.00259 135.8
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.