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

2
Patents

200.01433 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.021606 135.1
[M+Na]+ 223.003548 142.9
[M-H]- 199.007054 139.8
[M+NH4]+ 218.048153 152.5
[M+K]+ 238.977488 143.2
[M+H-H2O]+ 183.011590 129.9
[M+HCOO]- 245.012531 148.9
[M+CH3COO]- 259.028181 177.5
[M+Na-2H]- 220.988996 141.9
[M]+ 200.01378142 137.1
[M]- 200.01487858 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

patents stripe