CID 61777488

6-(trifluoromethyl)pyridine-2-sulfonamide

Structural Information

Molecular Formula
C6H5F3N2O2S
SMILES
C1=CC(=NC(=C1)S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C6H5F3N2O2S/c7-6(8,9)4-2-1-3-5(11-4)14(10,12)13/h1-3H,(H2,10,12,13)
InChIKey
JIRJJIRRQYQKAE-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)pyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.00238 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.009656 139.6
[M+Na]+ 248.991598 149.6
[M-H]- 224.995104 138.2
[M+NH4]+ 244.036203 156.4
[M+K]+ 264.965538 146.0
[M+H-H2O]+ 208.999640 131.1
[M+HCOO]- 271.000581 153.3
[M+CH3COO]- 285.016231 184.8
[M+Na-2H]- 246.977046 144.5
[M]+ 226.00183142 136.4
[M]- 226.00292858 136.4
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.