CID 613554

1-phenoxyphthalazine

Structural Information

Molecular Formula
C14H10N2O
SMILES
C1=CC=C(C=C1)OC2=NN=CC3=CC=CC=C32
InChI
InChI=1S/C14H10N2O/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H
InChIKey
CSHSXUZQMJVDJY-UHFFFAOYSA-N
Compound name
1-phenoxyphthalazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

222.07932 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08660 147.4
[M+Na]+ 245.06854 156.3
[M-H]- 221.07204 152.2
[M+NH4]+ 240.11314 163.5
[M+K]+ 261.04248 151.6
[M+H-H2O]+ 205.07658 137.9
[M+HCOO]- 267.07752 169.0
[M+CH3COO]- 281.09317 159.9
[M+Na-2H]- 243.05399 158.0
[M]+ 222.07877 147.8
[M]- 222.07987 147.8
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

patents stripe