CID 14497

2,3-dihydrothiophene 1,1-dioxide

Structural Information

Molecular Formula
C4H6O2S
SMILES
C1CS(=O)(=O)C=C1
InChI
InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1,3H,2,4H2
InChIKey
DYGJDTCGUUMUBL-UHFFFAOYSA-N
Compound name
2,3-dihydrothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1361
Patents

118.00885 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.01613 121.1
[M+Na]+ 140.99807 131.8
[M+NH4]+ 136.04267 131.8
[M+K]+ 156.97201 124.3
[M-H]- 117.00157 122.2
[M+Na-2H]- 138.98352 127.6
[M]+ 118.00830 123.4
[M]- 118.00940 123.4
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

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