CID 68755221

5-bromo-7-fluoroquinoline

Structural Information

Molecular Formula
C9H5BrFN
SMILES
C1=CC2=C(C=C(C=C2Br)F)N=C1
InChI
InChI=1S/C9H5BrFN/c10-8-4-6(11)5-9-7(8)2-1-3-12-9/h1-5H
InChIKey
KIRTXFHNXXGJLP-UHFFFAOYSA-N
Compound name
5-bromo-7-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

224.95894 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.96622 138.3
[M+Na]+ 247.94816 143.8
[M+NH4]+ 242.99276 144.2
[M+K]+ 263.92210 142.1
[M-H]- 223.95166 138.9
[M+Na-2H]- 245.93361 143.2
[M]+ 224.95839 138.2
[M]- 224.95949 138.2
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