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]+ 281.068736 158.6
[M+Na]+ 303.050678 168.7
[M-H]- 279.054184 161.6
[M+NH4]+ 298.095283 172.2
[M+K]+ 319.024618 163.3
[M+H-H2O]+ 263.058720 150.4
[M+HCOO]- 325.059661 175.3
[M+CH3COO]- 339.075311 194.4
[M+Na-2H]- 301.036126 164.2
[M]+ 280.06091142 163.2
[M]- 280.06200858 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.