CID 69935629

Sodium 5-(trifluoromethyl)pyridine-2-sulfinate

Structural Information

Molecular Formula
C6H4F3NO2S
SMILES
C1=CC(=NC=C1C(F)(F)F)S(=O)O
InChI
InChI=1S/C6H4F3NO2S/c7-6(8,9)4-1-2-5(10-3-4)13(11)12/h1-3H,(H,11,12)
InChIKey
VXJQRIPEBZUAPA-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)pyridine-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.99149 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.99877 134.7
[M+Na]+ 233.98071 144.4
[M-H]- 209.98421 132.4
[M+NH4]+ 229.02531 152.0
[M+K]+ 249.95465 141.1
[M+H-H2O]+ 193.98875 126.5
[M+HCOO]- 255.98969 147.1
[M+CH3COO]- 270.00534 179.2
[M+Na-2H]- 231.96616 137.8
[M]+ 210.99094 132.2
[M]- 210.99204 132.2
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.