CID 139597581

2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

Structural Information

Molecular Formula
C7H7F3N2O3S
SMILES
COC1=NC=CC(=C1S(=O)(=O)N)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O3S/c1-15-6-5(16(11,13)14)4(2-3-12-6)7(8,9)10/h2-3H,1H3,(H2,11,13,14)
InChIKey
WBUFOXXQVMYCKR-UHFFFAOYSA-N
Compound name
2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

9
Patents

256.01294 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02022 147.1
[M+Na]+ 279.00216 157.3
[M-H]- 255.00566 145.9
[M+NH4]+ 274.04676 162.8
[M+K]+ 294.97610 154.0
[M+H-H2O]+ 239.01020 138.5
[M+HCOO]- 301.01114 160.7
[M+CH3COO]- 315.02679 191.2
[M+Na-2H]- 276.98761 151.1
[M]+ 256.01239 146.0
[M]- 256.01349 146.0
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.