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]+ 242.00932 142.2
[M+Na]+ 263.99126 153.2
[M-H]- 239.99476 140.2
[M+NH4]+ 259.03586 158.4
[M+K]+ 279.96520 148.9
[M+H-H2O]+ 223.99930 134.4
[M+HCOO]- 286.00024 154.1
[M+CH3COO]- 300.01589 183.5
[M+Na-2H]- 261.97671 146.2
[M]+ 241.00149 140.4
[M]- 241.00259 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.