CID 686231

152567-94-7

Structural Information

Molecular Formula
C15H10N2O3
SMILES
C1=CC=C2C(=C1)C(=NNC2=O)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C15H10N2O3/c18-14-12-4-2-1-3-11(12)13(16-17-14)9-5-7-10(8-6-9)15(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKey
GPMAGXCWKPUWCA-UHFFFAOYSA-N
Compound name
4-(4-oxo-3H-phthalazin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

266.06915 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07643 157.8
[M+Na]+ 289.05837 167.2
[M-H]- 265.06187 160.8
[M+NH4]+ 284.10297 170.9
[M+K]+ 305.03231 161.3
[M+H-H2O]+ 249.06641 149.1
[M+HCOO]- 311.06735 175.8
[M+CH3COO]- 325.08300 168.9
[M+Na-2H]- 287.04382 164.4
[M]+ 266.06860 156.7
[M]- 266.06970 156.7
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

patents stripe