CID 6410697

1-(4-fluorophenoxy)phthalazine

Structural Information

Molecular Formula
C14H9FN2O
SMILES
C1=CC=C2C(=C1)C=NN=C2OC3=CC=C(C=C3)F
InChI
InChI=1S/C14H9FN2O/c15-11-5-7-12(8-6-11)18-14-13-4-2-1-3-10(13)9-16-17-14/h1-9H
InChIKey
JEVRLJZTZLXJMB-UHFFFAOYSA-N
Compound name
1-(4-fluorophenoxy)phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.06989 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07717 150.9
[M+Na]+ 263.05911 160.8
[M-H]- 239.06261 154.7
[M+NH4]+ 258.10371 166.5
[M+K]+ 279.03305 155.6
[M+H-H2O]+ 223.06715 140.5
[M+HCOO]- 285.06809 171.4
[M+CH3COO]- 299.08374 163.1
[M+Na-2H]- 261.04456 160.0
[M]+ 240.06934 150.6
[M]- 240.07044 150.6
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.