CID 63358279

8-bromo-4-chloro-2-cyclopropylquinoline

Structural Information

Molecular Formula
C12H9BrClN
SMILES
C1CC1C2=NC3=C(C=CC=C3Br)C(=C2)Cl
InChI
InChI=1S/C12H9BrClN/c13-9-3-1-2-8-10(14)6-11(7-4-5-7)15-12(8)9/h1-3,6-7H,4-5H2
InChIKey
BMEBGUZGAJXWKL-UHFFFAOYSA-N
Compound name
8-bromo-4-chloro-2-cyclopropylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9607 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.96798 152.7
[M+Na]+ 303.94992 168.3
[M-H]- 279.95342 162.1
[M+NH4]+ 298.99452 168.9
[M+K]+ 319.92386 154.6
[M+H-H2O]+ 263.95796 152.2
[M+HCOO]- 325.95890 168.7
[M+CH3COO]- 339.97455 167.4
[M+Na-2H]- 301.93537 160.8
[M]+ 280.96015 174.3
[M]- 280.96125 174.3
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

No patent data available for this compound.