CID 139026896

6-bromo-2-chloro-3-cyclopropylquinoline

Structural Information

Molecular Formula
C12H9BrClN
SMILES
C1CC1C2=C(N=C3C=CC(=CC3=C2)Br)Cl
InChI
InChI=1S/C12H9BrClN/c13-9-3-4-11-8(5-9)6-10(7-1-2-7)12(14)15-11/h3-7H,1-2H2
InChIKey
YJIPHTMKFQESHK-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-3-cyclopropylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9607 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.96798 142.5
[M+Na]+ 303.94992 151.3
[M+NH4]+ 298.99452 150.0
[M+K]+ 319.92386 149.9
[M-H]- 279.95342 151.5
[M+Na-2H]- 301.93537 151.1
[M]+ 280.96015 146.7
[M]- 280.96125 146.7
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.