CID 3052591

3(2h)-pyridazinone, 6-(3-chlorophenoxy)-2-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C12H11ClN2O3
SMILES
C1=CC(=CC(=C1)Cl)OC2=NN(C(=O)C=C2)CCO
InChI
InChI=1S/C12H11ClN2O3/c13-9-2-1-3-10(8-9)18-11-4-5-12(17)15(14-11)6-7-16/h1-5,8,16H,6-7H2
InChIKey
IRMOLUXIMXJFAJ-UHFFFAOYSA-N
Compound name
6-(3-chlorophenoxy)-2-(2-hydroxyethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0458 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05308 154.1
[M+Na]+ 289.03502 164.6
[M-H]- 265.03852 157.3
[M+NH4]+ 284.07962 168.2
[M+K]+ 305.00896 159.4
[M+H-H2O]+ 249.04306 146.0
[M+HCOO]- 311.04400 171.0
[M+CH3COO]- 325.05965 191.5
[M+Na-2H]- 287.02047 160.2
[M]+ 266.04525 158.3
[M]- 266.04635 158.3
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

No patent data available for this compound.