CID 3067299

81198-22-3

Structural Information

Molecular Formula
C11H6N2O2
SMILES
C1=CC=C2C(=C1)C3=NNC(=O)C=C3C2=O
InChI
InChI=1S/C11H6N2O2/c14-9-5-8-10(13-12-9)6-3-1-2-4-7(6)11(8)15/h1-5H,(H,12,14)
InChIKey
LECUEVGPHXYPCK-UHFFFAOYSA-N
Compound name
2H-indeno[1,2-c]pyridazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

198.04292 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.050196 138.2
[M+Na]+ 221.032138 150.4
[M-H]- 197.035644 140.8
[M+NH4]+ 216.076743 158.4
[M+K]+ 237.006078 145.2
[M+H-H2O]+ 181.040180 131.5
[M+HCOO]- 243.041121 159.2
[M+CH3COO]- 257.056771 152.1
[M+Na-2H]- 219.017586 146.2
[M]+ 198.04237142 139.0
[M]- 198.04346858 139.0
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.