CID 130094493

3-(difluoromethyl)pyridine-2-sulfonamide

Structural Information

Molecular Formula
C6H6F2N2O2S
SMILES
C1=CC(=C(N=C1)S(=O)(=O)N)C(F)F
InChI
InChI=1S/C6H6F2N2O2S/c7-5(8)4-2-1-3-10-6(4)13(9,11)12/h1-3,5H,(H2,9,11,12)
InChIKey
DUMBIELAZYJYIK-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)pyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.01181 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01909 136.1
[M+Na]+ 231.00103 145.5
[M-H]- 207.00453 136.0
[M+NH4]+ 226.04563 153.6
[M+K]+ 246.97497 142.3
[M+H-H2O]+ 191.00907 128.2
[M+HCOO]- 253.01001 151.5
[M+CH3COO]- 267.02566 183.1
[M+Na-2H]- 228.98648 139.7
[M]+ 208.01126 134.2
[M]- 208.01236 134.2
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.