CID 53393240

7-bromo-3-chloroquinoline

Structural Information

Molecular Formula
C9H5BrClN
SMILES
C1=CC(=CC2=NC=C(C=C21)Cl)Br
InChI
InChI=1S/C9H5BrClN/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-5H
InChIKey
IRHYJYLFQWBXBB-UHFFFAOYSA-N
Compound name
7-bromo-3-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

240.9294 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

patents stripe