CID 3052584

3(2h)-pyridazinone, 6-(4-fluorophenoxy)-2-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C12H11FN2O3
SMILES
C1=CC(=CC=C1OC2=NN(C(=O)C=C2)CCO)F
InChI
InChI=1S/C12H11FN2O3/c13-9-1-3-10(4-2-9)18-11-5-6-12(17)15(14-11)7-8-16/h1-6,16H,7-8H2
InChIKey
DTOUAALZBLQAGF-UHFFFAOYSA-N
Compound name
6-(4-fluorophenoxy)-2-(2-hydroxyethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.07536 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08264 151.9
[M+Na]+ 273.06458 161.8
[M-H]- 249.06808 153.9
[M+NH4]+ 268.10918 165.8
[M+K]+ 289.03852 157.7
[M+H-H2O]+ 233.07262 142.3
[M+HCOO]- 295.07356 172.4
[M+CH3COO]- 309.08921 190.4
[M+Na-2H]- 271.05003 157.8
[M]+ 250.07481 153.0
[M]- 250.07591 153.0
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.