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]+ 281.967976 152.7
[M+Na]+ 303.949918 168.3
[M-H]- 279.953424 162.1
[M+NH4]+ 298.994523 168.9
[M+K]+ 319.923858 154.6
[M+H-H2O]+ 263.957960 152.2
[M+HCOO]- 325.958901 168.7
[M+CH3COO]- 339.974551 167.4
[M+Na-2H]- 301.935366 160.8
[M]+ 280.96015142 174.3
[M]- 280.96124858 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.