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]+ 257.931576 139.2
[M+Na]+ 279.913518 154.8
[M-H]- 255.917024 145.9
[M+NH4]+ 274.958123 161.1
[M+K]+ 295.887458 141.8
[M+H-H2O]+ 239.921560 140.1
[M+HCOO]- 301.922501 155.9
[M+CH3COO]- 315.938151 155.4
[M+Na-2H]- 277.898966 149.2
[M]+ 256.92375142 160.8
[M]- 256.92484858 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.