CID 266158

4,7-dihydro-1,3,2lambda4-dioxathiepin-2-one

Structural Information

Molecular Formula
C4H6O3S
SMILES
C1C=CCOS(=O)O1
InChI
InChI=1S/C4H6O3S/c5-8-6-3-1-2-4-7-8/h1-2H,3-4H2
InChIKey
QAOSUJVCSVOSEU-UHFFFAOYSA-N
Compound name
4,7-dihydro-1,3,2-dioxathiepine 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

134.00377 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.01105 117.2
[M+Na]+ 156.99299 122.3
[M-H]- 132.99649 123.1
[M+NH4]+ 152.03759 135.1
[M+K]+ 172.96693 128.4
[M+H-H2O]+ 117.00103 112.8
[M+HCOO]- 179.00197 133.7
[M+CH3COO]- 193.01762 168.9
[M+Na-2H]- 154.97844 123.8
[M]+ 134.00322 115.6
[M]- 134.00432 115.6
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

patents stripe