CID 139026689

7-bromo-2,4-dichloro-8-fluoro-3-methylquinoline

Structural Information

Molecular Formula
C10H5BrCl2FN
SMILES
CC1=C(C2=C(C(=C(C=C2)Br)F)N=C1Cl)Cl
InChI
InChI=1S/C10H5BrCl2FN/c1-4-7(12)5-2-3-6(11)8(14)9(5)15-10(4)13/h2-3H,1H3
InChIKey
DHCHZLKWCPLXDN-UHFFFAOYSA-N
Compound name
7-bromo-2,4-dichloro-8-fluoro-3-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.89664 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.90392 149.3
[M+Na]+ 329.88586 166.5
[M-H]- 305.88936 154.3
[M+NH4]+ 324.93046 170.2
[M+K]+ 345.85980 151.7
[M+H-H2O]+ 289.89390 150.0
[M+HCOO]- 351.89484 159.4
[M+CH3COO]- 365.91049 164.5
[M+Na-2H]- 327.87131 156.0
[M]+ 306.89609 170.9
[M]- 306.89719 170.9
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.