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 149.5
[M+Na]+ 275.01939 160.5
[M-H]- 251.02289 152.9
[M+NH4]+ 270.06399 164.2
[M+K]+ 290.99333 155.5
[M+H-H2O]+ 235.02743 141.7
[M+HCOO]- 297.02837 166.8
[M+CH3COO]- 311.04402 188.5
[M+Na-2H]- 273.00484 156.2
[M]+ 252.02962 153.4
[M]- 252.03072 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