CID 3052577

69024-94-8

Structural Information

Molecular Formula
C13H13ClN2O3
SMILES
CC(CN1C(=O)C=CC(=N1)OC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C13H13ClN2O3/c1-9(17)8-16-13(18)7-6-12(15-16)19-11-4-2-10(14)3-5-11/h2-7,9,17H,8H2,1H3
InChIKey
VZKLKIJFGVOYLR-UHFFFAOYSA-N
Compound name
6-(4-chlorophenoxy)-2-(2-hydroxypropyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.06146 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06874 158.2
[M+Na]+ 303.05068 168.0
[M-H]- 279.05418 161.4
[M+NH4]+ 298.09528 171.7
[M+K]+ 319.02462 163.1
[M+H-H2O]+ 263.05872 150.1
[M+HCOO]- 325.05966 173.9
[M+CH3COO]- 339.07531 195.3
[M+Na-2H]- 301.03613 162.7
[M]+ 280.06091 162.3
[M]- 280.06201 162.3
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