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

2184
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 161.5
[M+Na]+ 299.05578 173.6
[M-H]- 275.05928 168.1
[M+NH4]+ 294.10038 170.7
[M+K]+ 315.02972 166.4
[M+H-H2O]+ 259.06382 153.0
[M+HCOO]- 321.06476 178.3
[M+CH3COO]- 335.08041 173.0
[M+Na-2H]- 297.04123 165.6
[M]+ 276.06601 166.1
[M]- 276.06711 166.1
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