CID 11528181

499223-49-3

Structural Information

Molecular Formula
C14H13ClN2O2
SMILES
CC1=C(C(=CC=C1)C2CC2)OC3=NNC(=CC3=O)Cl
InChI
InChI=1S/C14H13ClN2O2/c1-8-3-2-4-10(9-5-6-9)13(8)19-14-11(18)7-12(15)16-17-14/h2-4,7,9H,5-6H2,1H3,(H,16,18)
InChIKey
GZJVZGUUTYWVTP-UHFFFAOYSA-N
Compound name
6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-1H-pyridazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2095
Patents

276.06656 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07384 161.6
[M+Na]+ 299.05578 179.4
[M+NH4]+ 294.10038 170.2
[M+K]+ 315.02972 172.7
[M-H]- 275.05928 172.6
[M+Na-2H]- 297.04123 173.2
[M]+ 276.06601 168.8
[M]- 276.06711 168.8
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