CID 145913638

7-bromo-8-fluoroquinoline-2-carbaldehyde

Structural Information

Molecular Formula
C10H5BrFNO
SMILES
C1=CC(=NC2=C1C=CC(=C2F)Br)C=O
InChI
InChI=1S/C10H5BrFNO/c11-8-4-2-6-1-3-7(5-14)13-10(6)9(8)12/h1-5H
InChIKey
XYSVRHJZNQBIBE-UHFFFAOYSA-N
Compound name
7-bromo-8-fluoroquinoline-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.95386 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.96114 142.8
[M+Na]+ 275.94308 157.0
[M-H]- 251.94658 148.2
[M+NH4]+ 270.98768 163.8
[M+K]+ 291.91702 145.1
[M+H-H2O]+ 235.95112 142.0
[M+HCOO]- 297.95206 162.6
[M+CH3COO]- 311.96771 191.6
[M+Na-2H]- 273.92853 151.8
[M]+ 252.95331 161.8
[M]- 252.95441 161.8
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.