CID 145912952

2378501-93-8

Structural Information

Molecular Formula
C6H5F2NO2S
SMILES
C1=CC(=C(N=C1)S(=O)O)C(F)F
InChI
InChI=1S/C6H5F2NO2S/c7-5(8)4-2-1-3-9-6(4)12(10)11/h1-3,5H,(H,10,11)
InChIKey
JWSNQYRDDMXOLH-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)pyridine-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0009 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.00818 131.4
[M+Na]+ 215.99012 140.3
[M-H]- 191.99362 130.3
[M+NH4]+ 211.03472 149.3
[M+K]+ 231.96406 137.5
[M+H-H2O]+ 175.99816 123.8
[M+HCOO]- 237.99910 145.3
[M+CH3COO]- 252.01475 177.6
[M+Na-2H]- 213.97557 133.3
[M]+ 193.00035 130.1
[M]- 193.00145 130.1
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.