CID 12170154

6-cyclopropyl-4-(trifluoromethyl)-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C8H7F3N2O
SMILES
C1CC1C2=NNC(=O)C(=C2)C(F)(F)F
InChI
InChI=1S/C8H7F3N2O/c9-8(10,11)5-3-6(4-1-2-4)12-13-7(5)14/h3-4H,1-2H2,(H,13,14)
InChIKey
MJWXOHWAAFYMCF-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-(trifluoromethyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05104 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058316 139.6
[M+Na]+ 227.040258 151.3
[M-H]- 203.043764 139.9
[M+NH4]+ 222.084863 150.8
[M+K]+ 243.014198 145.8
[M+H-H2O]+ 187.048300 129.7
[M+HCOO]- 249.049241 156.6
[M+CH3COO]- 263.064891 184.3
[M+Na-2H]- 225.025706 145.4
[M]+ 204.05049142 136.8
[M]- 204.05158858 136.8
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

No patent data available for this compound.