CID 17039758

948294-46-0

Structural Information

Molecular Formula
C11H8BrCl2N
SMILES
C1=CC2=NC(=C(C=C2C=C1Br)CCCl)Cl
InChI
InChI=1S/C11H8BrCl2N/c12-9-1-2-10-8(6-9)5-7(3-4-13)11(14)15-10/h1-2,5-6H,3-4H2
InChIKey
HXRISNDQRQVHSH-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-3-(2-chloroethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.92172 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.92900 151.2
[M+Na]+ 325.91094 166.4
[M-H]- 301.91444 156.7
[M+NH4]+ 320.95554 171.8
[M+K]+ 341.88488 151.7
[M+H-H2O]+ 285.91898 152.3
[M+HCOO]- 347.91992 162.1
[M+CH3COO]- 361.93557 165.9
[M+Na-2H]- 323.89639 159.4
[M]+ 302.92117 173.5
[M]- 302.92227 173.5
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.