CID 21818213

8-bromo-6-chloroquinoline

Structural Information

Molecular Formula
C9H5BrClN
SMILES
C1=CC2=CC(=CC(=C2N=C1)Br)Cl
InChI
InChI=1S/C9H5BrClN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h1-5H
InChIKey
NYZQVTHNVNLOQQ-UHFFFAOYSA-N
Compound name
8-bromo-6-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

240.9294 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.936676 137.7
[M+Na]+ 263.918618 152.4
[M-H]- 239.922124 144.0
[M+NH4]+ 258.963223 160.1
[M+K]+ 279.892558 139.4
[M+H-H2O]+ 223.926660 138.7
[M+HCOO]- 285.927601 154.2
[M+CH3COO]- 299.943251 153.7
[M+Na-2H]- 261.904066 148.4
[M]+ 240.92885142 158.3
[M]- 240.92994858 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe