CID 132372809

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

Structural Information

Molecular Formula
C7H7F3N2O2S
SMILES
CC1=CC(=CN=C1C(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C7H7F3N2O2S/c1-4-2-5(15(11,13)14)3-12-6(4)7(8,9)10/h2-3H,1H3,(H2,11,13,14)
InChIKey
UKWZWXPDUCRRIG-UHFFFAOYSA-N
Compound name
5-methyl-6-(trifluoromethyl)pyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.01804 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.025316 143.9
[M+Na]+ 263.007258 154.3
[M-H]- 239.010764 142.7
[M+NH4]+ 258.051863 160.4
[M+K]+ 278.981198 150.5
[M+H-H2O]+ 223.015300 135.5
[M+HCOO]- 285.016241 157.3
[M+CH3COO]- 299.031891 189.0
[M+Na-2H]- 260.992706 147.6
[M]+ 240.01749142 141.4
[M]- 240.01858858 141.4
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