CID 100899

2,3-dihydro-2,5-dimethyl-1,4-dithiin 1,1,4,4-tetraoxide

Structural Information

Molecular Formula
C6H10O4S2
SMILES
CC1CS(=O)(=O)C(=CS1(=O)=O)C
InChI
InChI=1S/C6H10O4S2/c1-5-3-12(9,10)6(2)4-11(5,7)8/h3,6H,4H2,1-2H3
InChIKey
WICDRHMSCYGNQI-UHFFFAOYSA-N
Compound name
2,5-dimethyl-2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

210.00204 Da
Monoisotopic Mass

-0.4
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

No literature data available for this compound.

Patent stripe

patents stripe