CID 3052580

69024-97-1

Structural Information

Molecular Formula
C13H13ClN2O4
SMILES
C1=CC(=CC=C1OC2=NN(C(=O)C=C2)CC(CO)O)Cl
InChI
InChI=1S/C13H13ClN2O4/c14-9-1-3-11(4-2-9)20-12-5-6-13(19)16(15-12)7-10(18)8-17/h1-6,10,17-18H,7-8H2
InChIKey
OMMBPANMPWCBJK-UHFFFAOYSA-N
Compound name
6-(4-chlorophenoxy)-2-(2,3-dihydroxypropyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.0564 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06368 163.1
[M+Na]+ 319.04562 177.4
[M+NH4]+ 314.09022 169.1
[M+K]+ 335.01956 171.6
[M-H]- 295.04912 164.3
[M+Na-2H]- 317.03107 170.0
[M]+ 296.05585 165.6
[M]- 296.05695 165.6
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