CID 201549

2,3-dihydrothiophene-3-ol 1,1-dioxide

Structural Information

Molecular Formula
C4H6O3S
SMILES
C1C(C=CS1(=O)=O)O
InChI
InChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-2,4-5H,3H2
InChIKey
UGEUCEAIWUTYIC-UHFFFAOYSA-N
Compound name
1,1-dioxo-2,3-dihydrothiophen-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

134.00377 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.01105 120.7
[M+Na]+ 156.99299 131.1
[M-H]- 132.99649 124.1
[M+NH4]+ 152.03759 146.3
[M+K]+ 172.96693 129.5
[M+H-H2O]+ 117.00103 117.6
[M+HCOO]- 179.00197 140.3
[M+CH3COO]- 193.01762 163.0
[M+Na-2H]- 154.97844 125.2
[M]+ 134.00322 122.2
[M]- 134.00432 122.2
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

patents stripe