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]+ 257.020216 147.1
[M+Na]+ 279.002158 157.3
[M-H]- 255.005664 145.9
[M+NH4]+ 274.046763 162.8
[M+K]+ 294.976098 154.0
[M+H-H2O]+ 239.010200 138.5
[M+HCOO]- 301.011141 160.7
[M+CH3COO]- 315.026791 191.2
[M+Na-2H]- 276.987606 151.1
[M]+ 256.01239142 146.0
[M]- 256.01348858 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

literature stripe

Patent stripe

patents stripe