CID 84008554

1553950-73-4

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
CN1C=C(C=C(C1=O)N)C(F)(F)F
InChI
InChI=1S/C7H7F3N2O/c1-12-3-4(7(8,9)10)2-5(11)6(12)13/h2-3H,11H2,1H3
InChIKey
VPIDLHRYZJRJQK-UHFFFAOYSA-N
Compound name
3-amino-1-methyl-5-(trifluoromethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

192.05104 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.058316 134.1
[M+Na]+ 215.040258 145.2
[M-H]- 191.043764 133.2
[M+NH4]+ 210.084863 152.5
[M+K]+ 231.014198 142.2
[M+H-H2O]+ 175.048300 125.9
[M+HCOO]- 237.049241 154.0
[M+CH3COO]- 251.064891 184.7
[M+Na-2H]- 213.025706 139.3
[M]+ 192.05049142 129.7
[M]- 192.05158858 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe