CID 115048332

3-bromo-8-chloro-4h-quinolizin-4-one

Structural Information

Molecular Formula
C9H5BrClNO
SMILES
C1=CN2C(=CC=C(C2=O)Br)C=C1Cl
InChI
InChI=1S/C9H5BrClNO/c10-8-2-1-7-5-6(11)3-4-12(7)9(8)13/h1-5H
InChIKey
UEUXAUZFJIWGMD-UHFFFAOYSA-N
Compound name
3-bromo-8-chloroquinolizin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.93158 139.2
[M+Na]+ 279.91352 154.8
[M-H]- 255.91702 145.9
[M+NH4]+ 274.95812 161.1
[M+K]+ 295.88746 141.8
[M+H-H2O]+ 239.92156 140.1
[M+HCOO]- 301.92250 155.9
[M+CH3COO]- 315.93815 155.4
[M+Na-2H]- 277.89897 149.2
[M]+ 256.92375 160.8
[M]- 256.92485 160.8
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.