CID 18418896

Sodium 2,3-dihydro-1,4-benzodioxine-6-sulfinate

Structural Information

Molecular Formula
C8H8O4S
SMILES
C1COC2=C(O1)C=CC(=C2)S(=O)O
InChI
InChI=1S/C8H8O4S/c9-13(10)6-1-2-7-8(5-6)12-4-3-11-7/h1-2,5H,3-4H2,(H,9,10)
InChIKey
SRWHSEINZMZLDS-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-6-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.01433 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02161 135.1
[M+Na]+ 223.00355 142.9
[M-H]- 199.00705 139.8
[M+NH4]+ 218.04815 152.5
[M+K]+ 238.97749 143.2
[M+H-H2O]+ 183.01159 129.9
[M+HCOO]- 245.01253 148.9
[M+CH3COO]- 259.02818 177.5
[M+Na-2H]- 220.98900 141.9
[M]+ 200.01378 137.1
[M]- 200.01488 137.1
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.