CID 4227374

302913-53-7

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
CC(=O)C1=C2C=CC=NN2C(=C1)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H11ClN2O2/c1-10(20)13-9-15(19-14(13)3-2-8-18-19)16(21)11-4-6-12(17)7-5-11/h2-9H,1H3
InChIKey
HKOCKZIFDHBBFT-UHFFFAOYSA-N
Compound name
1-[7-(4-chlorobenzoyl)pyrrolo[1,2-b]pyridazin-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05818 164.3
[M+Na]+ 321.04012 180.6
[M+NH4]+ 316.08472 172.3
[M+K]+ 337.01406 174.7
[M-H]- 297.04362 167.4
[M+Na-2H]- 319.02557 172.6
[M]+ 298.05035 167.9
[M]- 298.05145 167.9
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.