CID 13200191

6-bromo-2-chloro-3-phenylquinoline

Structural Information

Molecular Formula
C15H9BrClN
SMILES
C1=CC=C(C=C1)C2=C(N=C3C=CC(=CC3=C2)Br)Cl
InChI
InChI=1S/C15H9BrClN/c16-12-6-7-14-11(8-12)9-13(15(17)18-14)10-4-2-1-3-5-10/h1-9H
InChIKey
KRUZBMLYYUQATF-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-3-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

316.9607 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.96798 160.7
[M+Na]+ 339.94992 174.7
[M-H]- 315.95342 169.6
[M+NH4]+ 334.99452 179.8
[M+K]+ 355.92386 160.5
[M+H-H2O]+ 299.95796 160.1
[M+HCOO]- 361.95890 176.4
[M+CH3COO]- 375.97455 175.2
[M+Na-2H]- 337.93537 169.5
[M]+ 316.96015 181.2
[M]- 316.96125 181.2
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

patents stripe