CID 75106

6-phenylpyridazin-3(2h)-one

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C(C=C1)C2=NNC(=O)C=C2
InChI
InChI=1S/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey
IJUIPRDMWWBTTQ-UHFFFAOYSA-N
Compound name
3-phenyl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

511
Patents

172.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.070936 133.7
[M+Na]+ 195.052878 142.9
[M-H]- 171.056384 136.7
[M+NH4]+ 190.097483 150.4
[M+K]+ 211.026818 138.5
[M+H-H2O]+ 155.060920 125.7
[M+HCOO]- 217.061861 155.7
[M+CH3COO]- 231.077511 146.8
[M+Na-2H]- 193.038326 142.9
[M]+ 172.06311142 131.6
[M]- 172.06420858 131.6
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