CID 91895136

1370597-61-7

Structural Information

Molecular Formula
C12H7ClN4O2
SMILES
C1=CC(=CC(=C1)Cl)C2=NOC(=N2)C3=NNC(=O)C=C3
InChI
InChI=1S/C12H7ClN4O2/c13-8-3-1-2-7(6-8)11-14-12(19-17-11)9-4-5-10(18)16-15-9/h1-6H,(H,16,18)
InChIKey
KLMINRVAUBLYDJ-UHFFFAOYSA-N
Compound name
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.02576 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03304 157.5
[M+Na]+ 297.01498 169.4
[M-H]- 273.01848 162.0
[M+NH4]+ 292.05958 168.5
[M+K]+ 312.98892 163.6
[M+H-H2O]+ 257.02302 147.2
[M+HCOO]- 319.02396 172.3
[M+CH3COO]- 333.03961 169.3
[M+Na-2H]- 295.00043 163.0
[M]+ 274.02521 159.8
[M]- 274.02631 159.8
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