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]+ 113.006706 115.1
[M+Na]+ 134.988648 123.4
[M-H]- 110.992154 113.3
[M+NH4]+ 130.033253 137.6
[M+K]+ 150.962588 122.5
[M+H-H2O]+ 94.996690 110.1
[M+HCOO]- 156.997631 131.7
[M+CH3COO]- 171.013281 163.0
[M+Na-2H]- 132.974096 118.3
[M]+ 111.99888142 115.4
[M]- 111.99997858 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.