CID 165756270

8-bromo-4-chloro-2-(chloromethyl)quinoline

Structural Information

Molecular Formula
C10H6BrCl2N
SMILES
C1=CC2=C(C=C(N=C2C(=C1)Br)CCl)Cl
InChI
InChI=1S/C10H6BrCl2N/c11-8-3-1-2-7-9(13)4-6(5-12)14-10(7)8/h1-4H,5H2
InChIKey
SHFLXXFBPGAYRW-UHFFFAOYSA-N
Compound name
8-bromo-4-chloro-2-(chloromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.90607 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.91335 149.8
[M+Na]+ 311.89529 157.7
[M+NH4]+ 306.93989 156.5
[M+K]+ 327.86923 154.3
[M-H]- 287.89879 151.7
[M+Na-2H]- 309.88074 155.0
[M]+ 288.90552 151.1
[M]- 288.90662 151.1
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.