CID 499995

Hexahydro-1,3,2-benzodioxathiole 2,2-dioxide

Structural Information

Molecular Formula
C6H10O4S
SMILES
C1CCC2C(C1)OS(=O)(=O)O2
InChI
InChI=1S/C6H10O4S/c7-11(8)9-5-3-1-2-4-6(5)10-11/h5-6H,1-4H2
InChIKey
RQZYATSEWICBFV-UHFFFAOYSA-N
Compound name
3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

178.02998 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03726 129.6
[M+Na]+ 201.01920 138.2
[M-H]- 177.02270 135.4
[M+NH4]+ 196.06380 152.4
[M+K]+ 216.99314 139.5
[M+H-H2O]+ 161.02724 126.5
[M+HCOO]- 223.02818 144.6
[M+CH3COO]- 237.04383 172.6
[M+Na-2H]- 199.00465 136.0
[M]+ 178.02943 131.1
[M]- 178.03053 131.1
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.