CID 59268886

6-(trifluoromethyl)pyridine-3-sulfonamide

Structural Information

Molecular Formula
C6H5F3N2O2S
SMILES
C1=CC(=NC=C1S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C6H5F3N2O2S/c7-6(8,9)5-2-1-4(3-11-5)14(10,12)13/h1-3H,(H2,10,12,13)
InChIKey
LNGCWLNVGKBMEH-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

226.00238 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00966 139.6
[M+Na]+ 248.99160 149.6
[M-H]- 224.99510 138.2
[M+NH4]+ 244.03620 156.4
[M+K]+ 264.96554 146.0
[M+H-H2O]+ 208.99964 131.1
[M+HCOO]- 271.00058 153.3
[M+CH3COO]- 285.01623 184.8
[M+Na-2H]- 246.97705 144.5
[M]+ 226.00183 136.4
[M]- 226.00293 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

patents stripe