CID 17933523

2-bromo-6-chloroquinoline

Structural Information

Molecular Formula
C9H5BrClN
SMILES
C1=CC2=C(C=CC(=N2)Br)C=C1Cl
InChI
InChI=1S/C9H5BrClN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
InChIKey
CZRQPBUNCHUQAN-UHFFFAOYSA-N
Compound name
2-bromo-6-chloroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
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 137.7
[M+Na]+ 263.91862 152.4
[M-H]- 239.92212 144.0
[M+NH4]+ 258.96322 160.1
[M+K]+ 279.89256 139.4
[M+H-H2O]+ 223.92666 138.7
[M+HCOO]- 285.92760 154.2
[M+CH3COO]- 299.94325 153.7
[M+Na-2H]- 261.90407 148.4
[M]+ 240.92885 158.3
[M]- 240.92995 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