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

3
Patents

272.9356 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.94288 145.6
[M+Na]+ 295.92482 161.6
[M-H]- 271.92832 151.1
[M+NH4]+ 290.96942 167.2
[M+K]+ 311.89876 147.9
[M+H-H2O]+ 255.93286 145.7
[M+HCOO]- 317.93380 160.7
[M+CH3COO]- 331.94945 161.2
[M+Na-2H]- 293.91027 153.7
[M]+ 272.93505 166.2
[M]- 272.93615 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