CID 70700726

6-chloro-5-(trifluoromethyl)pyridine-3-sulfonamide

Structural Information

Molecular Formula
C6H4ClF3N2O2S
SMILES
C1=C(C=NC(=C1C(F)(F)F)Cl)S(=O)(=O)N
InChI
InChI=1S/C6H4ClF3N2O2S/c7-5-4(6(8,9)10)1-3(2-12-5)15(11,13)14/h1-2H,(H2,11,13,14)
InChIKey
AZUGNASGYNDTNJ-UHFFFAOYSA-N
Compound name
6-chloro-5-(trifluoromethyl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

259.9634 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.97068 143.8
[M+Na]+ 282.95262 155.3
[M-H]- 258.95612 142.9
[M+NH4]+ 277.99722 160.4
[M+K]+ 298.92656 150.0
[M+H-H2O]+ 242.96066 136.5
[M+HCOO]- 304.96160 153.1
[M+CH3COO]- 318.97725 189.8
[M+Na-2H]- 280.93807 147.8
[M]+ 259.96285 142.9
[M]- 259.96395 142.9
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