CID 11311067

2-bromo-4-chloroquinoline

Structural Information

Molecular Formula
C9H5BrClN
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)Br)Cl
InChI
InChI=1S/C9H5BrClN/c10-9-5-7(11)6-3-1-2-4-8(6)12-9/h1-5H
InChIKey
RCTLPGXYGNQCRD-UHFFFAOYSA-N
Compound name
2-bromo-4-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

240.9294 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.93668 138.5
[M+Na]+ 263.91862 145.7
[M+NH4]+ 258.96322 145.4
[M+K]+ 279.89256 143.3
[M-H]- 239.92212 140.6
[M+Na-2H]- 261.90407 144.4
[M]+ 240.92885 139.4
[M]- 240.92995 139.4
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