CID 3052581

3(2h)-pyridazinone, 6-(4-chlorophenoxy)-2-(3-hydroxypropyl)-

Structural Information

Molecular Formula
C13H13ClN2O3
SMILES
C1=CC(=CC=C1OC2=NN(C(=O)C=C2)CCCO)Cl
InChI
InChI=1S/C13H13ClN2O3/c14-10-2-4-11(5-3-10)19-12-6-7-13(18)16(15-12)8-1-9-17/h2-7,17H,1,8-9H2
InChIKey
QRHDGFLELCUJIO-UHFFFAOYSA-N
Compound name
6-(4-chlorophenoxy)-2-(3-hydroxypropyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.06146 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.06874 158.6
[M+Na]+ 303.05068 168.7
[M-H]- 279.05418 161.6
[M+NH4]+ 298.09528 172.2
[M+K]+ 319.02462 163.3
[M+H-H2O]+ 263.05872 150.4
[M+HCOO]- 325.05966 175.3
[M+CH3COO]- 339.07531 194.4
[M+Na-2H]- 301.03613 164.2
[M]+ 280.06091 163.2
[M]- 280.06201 163.2
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

No patent data available for this compound.