CID 124036971

Lithium(1+) ion 4-fluoropyridine-2-sulfinate

Structural Information

Molecular Formula
C5H4FNO2S
SMILES
C1=CN=C(C=C1F)S(=O)O
InChI
InChI=1S/C5H4FNO2S/c6-4-1-2-7-5(3-4)10(8)9/h1-3H,(H,8,9)
InChIKey
LKBDNLMTFUUAAZ-UHFFFAOYSA-N
Compound name
4-fluoropyridine-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.99467 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.00195 124.8
[M+Na]+ 183.98389 134.5
[M-H]- 159.98739 125.3
[M+NH4]+ 179.02849 144.2
[M+K]+ 199.95783 131.9
[M+H-H2O]+ 143.99193 118.3
[M+HCOO]- 205.99287 141.2
[M+CH3COO]- 220.00852 171.0
[M+Na-2H]- 181.96934 128.8
[M]+ 160.99412 124.9
[M]- 160.99522 124.9
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.