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]+ 199.05020 138.2
[M+Na]+ 221.03214 150.4
[M-H]- 197.03564 140.8
[M+NH4]+ 216.07674 158.4
[M+K]+ 237.00608 145.2
[M+H-H2O]+ 181.04018 131.5
[M+HCOO]- 243.04112 159.2
[M+CH3COO]- 257.05677 152.1
[M+Na-2H]- 219.01759 146.2
[M]+ 198.04237 139.0
[M]- 198.04347 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.