CID 605878

39499-62-2

Structural Information

Molecular Formula
C10H9FN2O
SMILES
C1CC(=O)NN=C1C2=CC=C(C=C2)F
InChI
InChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey
CKONBUGAZNEEMK-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

192.06989 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.077166 139.4
[M+Na]+ 215.059108 147.5
[M-H]- 191.062614 140.6
[M+NH4]+ 210.103713 155.3
[M+K]+ 231.033048 143.1
[M+H-H2O]+ 175.067150 130.5
[M+HCOO]- 237.068091 157.4
[M+CH3COO]- 251.083741 179.5
[M+Na-2H]- 213.044556 145.1
[M]+ 192.06934142 133.7
[M]- 192.07043858 133.7
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