CID 101479521

6-bromo-2-chloro-5,7-difluoroquinoline

Structural Information

Molecular Formula
C9H3BrClF2N
SMILES
C1=CC(=NC2=CC(=C(C(=C21)F)Br)F)Cl
InChI
InChI=1S/C9H3BrClF2N/c10-8-5(12)3-6-4(9(8)13)1-2-7(11)14-6/h1-3H
InChIKey
OIQRHJZVBUOYEG-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-5,7-difluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.91055 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.91783 144.6
[M+Na]+ 299.89977 161.0
[M-H]- 275.90327 148.9
[M+NH4]+ 294.94437 166.0
[M+K]+ 315.87371 147.1
[M+H-H2O]+ 259.90781 143.9
[M+HCOO]- 321.90875 159.0
[M+CH3COO]- 335.92440 160.0
[M+Na-2H]- 297.88522 152.5
[M]+ 276.91000 163.8
[M]- 276.91110 163.8
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.