CID 43668643

6-bromo-4-chloro-8-fluoro-2-methylquinoline

Structural Information

Molecular Formula
C10H6BrClFN
SMILES
CC1=CC(=C2C=C(C=C(C2=N1)F)Br)Cl
InChI
InChI=1S/C10H6BrClFN/c1-5-2-8(12)7-3-6(11)4-9(13)10(7)14-5/h2-4H,1H3
InChIKey
ZUQUNBICVNSQMA-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-8-fluoro-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.9356 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.942876 145.6
[M+Na]+ 295.924818 161.6
[M-H]- 271.928324 151.1
[M+NH4]+ 290.969423 167.2
[M+K]+ 311.898758 147.9
[M+H-H2O]+ 255.932860 145.7
[M+HCOO]- 317.933801 160.7
[M+CH3COO]- 331.949451 161.2
[M+Na-2H]- 293.910266 153.7
[M]+ 272.93505142 166.2
[M]- 272.93614858 166.2
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

patents stripe