CID 165664561

3-bromo-4-chloroquinolin-6-amine

Structural Information

Molecular Formula
C9H6BrClN2
SMILES
C1=CC2=NC=C(C(=C2C=C1N)Cl)Br
InChI
InChI=1S/C9H6BrClN2/c10-7-4-13-8-2-1-5(12)3-6(8)9(7)11/h1-4H,12H2
InChIKey
LNURIWGUCLBEKM-UHFFFAOYSA-N
Compound name
3-bromo-4-chloroquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.94029 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.94757 142.8
[M+Na]+ 278.92951 157.3
[M-H]- 254.93301 148.8
[M+NH4]+ 273.97411 164.1
[M+K]+ 294.90345 143.6
[M+H-H2O]+ 238.93755 143.1
[M+HCOO]- 300.93849 159.4
[M+CH3COO]- 314.95414 158.2
[M+Na-2H]- 276.91496 151.9
[M]+ 255.93974 162.1
[M]- 255.94084 162.1
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

No patent data available for this compound.