CID 309056

42972-13-4

Structural Information

Molecular Formula
C9H6N2O4
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)NNC2=O
InChI
InChI=1S/C9H6N2O4/c12-7-5-2-1-4(9(14)15)3-6(5)8(13)11-10-7/h1-3H,(H,10,12)(H,11,13)(H,14,15)
InChIKey
FXXJJBDOKNNGQF-UHFFFAOYSA-N
Compound name
1,4-dioxo-2,3-dihydrophthalazine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

206.03276 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04004 140.0
[M+Na]+ 229.02198 152.8
[M+NH4]+ 224.06658 145.5
[M+K]+ 244.99592 148.9
[M-H]- 205.02548 138.6
[M+Na-2H]- 227.00743 144.3
[M]+ 206.03221 141.0
[M]- 206.03331 141.0
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