CID 19939931

Sodium 2-fluoroethane-1-sulfinate

Structural Information

Molecular Formula
C2H5FO2S
SMILES
C(CS(=O)O)F
InChI
InChI=1S/C2H5FO2S/c3-1-2-6(4)5/h1-2H2,(H,4,5)
InChIKey
HAGJNTNEOXTIHT-UHFFFAOYSA-N
Compound name
2-fluoroethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.99943 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.00671 115.1
[M+Na]+ 134.98865 123.4
[M-H]- 110.99215 113.3
[M+NH4]+ 130.03325 137.6
[M+K]+ 150.96259 122.5
[M+H-H2O]+ 94.996690 110.1
[M+HCOO]- 156.99763 131.7
[M+CH3COO]- 171.01328 163.0
[M+Na-2H]- 132.97410 118.3
[M]+ 111.99888 115.4
[M]- 111.99998 115.4
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.