CID 3052578

2-hydroxymethyl-6-(4-chlorophenoxy)-3-pyridazinone

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
C1=CC(=CC=C1OC2=NN(C(=O)C=C2)CO)Cl
InChI
InChI=1S/C11H9ClN2O3/c12-8-1-3-9(4-2-8)17-10-5-6-11(16)14(7-15)13-10/h1-6,15H,7H2
InChIKey
LYVYSRSRLSIOQL-UHFFFAOYSA-N
Compound name
6-(4-chlorophenoxy)-2-(hydroxymethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.03017 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.037446 149.5
[M+Na]+ 275.019388 160.5
[M-H]- 251.022894 152.9
[M+NH4]+ 270.063993 164.2
[M+K]+ 290.993328 155.5
[M+H-H2O]+ 235.027430 141.7
[M+HCOO]- 297.028371 166.8
[M+CH3COO]- 311.044021 188.5
[M+Na-2H]- 273.004836 156.2
[M]+ 252.02962142 153.4
[M]- 252.03071858 153.4
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