CID 6410593

Sr 41558

Structural Information

Molecular Formula
C15H16FN3O
SMILES
C1CN(CCC1O)C2=NN=C(C=C2)C3=CC=CC=C3F
InChI
InChI=1S/C15H16FN3O/c16-13-4-2-1-3-12(13)14-5-6-15(18-17-14)19-9-7-11(20)8-10-19/h1-6,11,20H,7-10H2
InChIKey
YXXWLKWZXTUCDD-UHFFFAOYSA-N
Compound name
1-[6-(2-fluorophenyl)pyridazin-3-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.12775 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13503 164.2
[M+Na]+ 296.11697 170.9
[M-H]- 272.12047 166.6
[M+NH4]+ 291.16157 174.9
[M+K]+ 312.09091 164.9
[M+H-H2O]+ 256.12501 152.4
[M+HCOO]- 318.12595 178.6
[M+CH3COO]- 332.14160 173.4
[M+Na-2H]- 294.10242 167.7
[M]+ 273.12720 157.7
[M]- 273.12830 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.