CID 13910921

3-(trifluoromethyl)pyridine-2-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

0
References

53
Patents

226.00238 Da
Monoisotopic Mass

0.6
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

literature stripe

Patent stripe

patents stripe