CID 147443

33252-63-0

Structural Information

Molecular Formula
C6H4F3NO
SMILES
C1=CC(=O)NC=C1C(F)(F)F
InChI
InChI=1S/C6H4F3NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKey
BYRJSCNPUHYZQE-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

983
Patents

163.0245 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03178 125.4
[M+Na]+ 186.01372 135.6
[M-H]- 162.01722 123.1
[M+NH4]+ 181.05832 144.3
[M+K]+ 201.98766 132.3
[M+H-H2O]+ 146.02176 117.6
[M+HCOO]- 208.02270 143.8
[M+CH3COO]- 222.03835 172.5
[M+Na-2H]- 183.99917 132.9
[M]+ 163.02395 119.8
[M]- 163.02505 119.8
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