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 159.7
[M+Na]+ 303.05068 175.0
[M+NH4]+ 298.09528 166.6
[M+K]+ 319.02462 168.3
[M-H]- 279.05418 161.9
[M+Na-2H]- 301.03613 167.7
[M]+ 280.06091 162.7
[M]- 280.06201 162.7
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