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
4
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]+ 242.009316 142.2
[M+Na]+ 263.991258 153.2
[M-H]- 239.994764 140.2
[M+NH4]+ 259.035863 158.4
[M+K]+ 279.965198 148.9
[M+H-H2O]+ 223.999300 134.4
[M+HCOO]- 286.000241 154.1
[M+CH3COO]- 300.015891 183.5
[M+Na-2H]- 261.976706 146.2
[M]+ 241.00149142 140.4
[M]- 241.00258858 140.4
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.