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]+ 205.05832 139.6
[M+Na]+ 227.04026 151.3
[M-H]- 203.04376 139.9
[M+NH4]+ 222.08486 150.8
[M+K]+ 243.01420 145.8
[M+H-H2O]+ 187.04830 129.7
[M+HCOO]- 249.04924 156.6
[M+CH3COO]- 263.06489 184.3
[M+Na-2H]- 225.02571 145.4
[M]+ 204.05049 136.8
[M]- 204.05159 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.