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

1
Patents

252.03017 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03745 150.9
[M+Na]+ 275.01939 167.0
[M+NH4]+ 270.06399 158.3
[M+K]+ 290.99333 159.9
[M-H]- 251.02289 153.3
[M+Na-2H]- 273.00484 159.8
[M]+ 252.02962 154.2
[M]- 252.03072 154.2
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