CID 3066654

110766-30-8

Structural Information

Molecular Formula
C11H11FN2O2
SMILES
C1C(C(=NNC1=O)C2=CC=C(C=C2)F)CO
InChI
InChI=1S/C11H11FN2O2/c12-9-3-1-7(2-4-9)11-8(6-15)5-10(16)13-14-11/h1-4,8,15H,5-6H2,(H,13,16)
InChIKey
KRVBOQMBBGEPBJ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-4-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08046 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08774 147.7
[M+Na]+ 245.06968 155.8
[M-H]- 221.07318 147.9
[M+NH4]+ 240.11428 162.0
[M+K]+ 261.04362 150.9
[M+H-H2O]+ 205.07772 139.0
[M+HCOO]- 267.07866 164.1
[M+CH3COO]- 281.09431 183.4
[M+Na-2H]- 243.05513 151.7
[M]+ 222.07991 142.5
[M]- 222.08101 142.5
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.