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

10496
Patents

210.00204 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.009316 131.8
[M+Na]+ 232.991258 142.4
[M-H]- 208.994764 135.8
[M+NH4]+ 228.035863 155.1
[M+K]+ 248.965198 139.5
[M+H-H2O]+ 192.999300 128.9
[M+HCOO]- 255.000241 144.4
[M+CH3COO]- 269.015891 179.6
[M+Na-2H]- 230.976706 136.3
[M]+ 210.00149142 135.8
[M]- 210.00258858 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

literature stripe

Patent stripe

patents stripe