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 160.9
[M+Na]+ 319.04562 170.1
[M-H]- 295.04912 162.8
[M+NH4]+ 314.09022 173.0
[M+K]+ 335.01956 165.0
[M+H-H2O]+ 279.05366 153.0
[M+HCOO]- 341.05460 175.4
[M+CH3COO]- 355.07025 195.1
[M+Na-2H]- 317.03107 165.1
[M]+ 296.05585 164.6
[M]- 296.05695 164.6
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