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]+ 162.001946 124.8
[M+Na]+ 183.983888 134.5
[M-H]- 159.987394 125.3
[M+NH4]+ 179.028493 144.2
[M+K]+ 199.957828 131.9
[M+H-H2O]+ 143.991930 118.3
[M+HCOO]- 205.992871 141.2
[M+CH3COO]- 220.008521 171.0
[M+Na-2H]- 181.969336 128.8
[M]+ 160.99412142 124.9
[M]- 160.99521858 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.