CID 27890

1,3-dithiane-1-oxide

Structural Information

Molecular Formula
C4H8OS2
SMILES
C1CSCS(=O)C1
InChI
InChI=1S/C4H8OS2/c5-7-3-1-2-6-4-7/h1-4H2
InChIKey
ONTCBWKSXDATLL-UHFFFAOYSA-N
Compound name
1,3-dithiane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

136.00166 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.00894 122.0
[M+Na]+ 158.99088 128.8
[M-H]- 134.99438 125.1
[M+NH4]+ 154.03548 144.1
[M+K]+ 174.96482 126.5
[M+H-H2O]+ 118.99892 117.1
[M+HCOO]- 180.99986 133.1
[M+CH3COO]- 195.01551 167.7
[M+Na-2H]- 156.97633 123.9
[M]+ 136.00111 119.6
[M]- 136.00221 119.6
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

No patent data available for this compound.