CID 139595359

3-methylsulfonyl-5-(trifluoromethyl)-1h-pyridin-2-one

Structural Information

Molecular Formula
C7H6F3NO3S
SMILES
CS(=O)(=O)C1=CC(=CNC1=O)C(F)(F)F
InChI
InChI=1S/C7H6F3NO3S/c1-15(13,14)5-2-4(7(8,9)10)3-11-6(5)12/h2-3H,1H3,(H,11,12)
InChIKey
IAFROQYWDIWFHV-UHFFFAOYSA-N
Compound name
3-methylsulfonyl-5-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

241.00204 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00932 153.1
[M+Na]+ 263.99126 161.0
[M+NH4]+ 259.03586 156.7
[M+K]+ 279.96520 156.2
[M-H]- 239.99476 147.4
[M+Na-2H]- 261.97671 154.9
[M]+ 241.00149 152.6
[M]- 241.00259 152.6
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

No patent data available for this compound.