CID 6410617

81198-23-4

Structural Information

Molecular Formula
C11H5ClN2O
SMILES
C1=CC=C2C(=C1)C3=NN=C(C=C3C2=O)Cl
InChI
InChI=1S/C11H5ClN2O/c12-9-5-8-10(14-13-9)6-3-1-2-4-7(6)11(8)15/h1-5H
InChIKey
KCYFISVHLKCHRM-UHFFFAOYSA-N
Compound name
3-chloroindeno[1,2-c]pyridazin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

216.00903 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.01631 142.4
[M+Na]+ 238.99825 155.6
[M-H]- 215.00175 146.0
[M+NH4]+ 234.04285 163.5
[M+K]+ 254.97219 149.8
[M+H-H2O]+ 199.00629 135.8
[M+HCOO]- 261.00723 159.9
[M+CH3COO]- 275.02288 156.6
[M+Na-2H]- 236.98370 150.2
[M]+ 216.00848 146.2
[M]- 216.00958 146.2
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.