CID 2315787

3-amino-5-(trifluoromethyl)-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C6H5F3N2O
SMILES
C1=C(C(=O)NC=C1C(F)(F)F)N
InChI
InChI=1S/C6H5F3N2O/c7-6(8,9)3-1-4(10)5(12)11-2-3/h1-2H,10H2,(H,11,12)
InChIKey
UKJVAYOQXPDMHO-UHFFFAOYSA-N
Compound name
3-amino-5-(trifluoromethyl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

166
Patents

178.0354 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04268 130.1
[M+Na]+ 201.02462 140.3
[M-H]- 177.02812 127.6
[M+NH4]+ 196.06922 148.0
[M+K]+ 216.99856 136.6
[M+H-H2O]+ 161.03266 122.0
[M+HCOO]- 223.03360 148.8
[M+CH3COO]- 237.04925 177.9
[M+Na-2H]- 199.01007 136.1
[M]+ 178.03485 123.1
[M]- 178.03595 123.1
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