CID 16774194

8-(bromomethyl)-6-fluoroquinoline

Structural Information

Molecular Formula
C10H7BrFN
SMILES
C1=CC2=CC(=CC(=C2N=C1)CBr)F
InChI
InChI=1S/C10H7BrFN/c11-6-8-5-9(12)4-7-2-1-3-13-10(7)8/h1-5H,6H2
InChIKey
NOBVXSWUZDZIMX-UHFFFAOYSA-N
Compound name
8-(bromomethyl)-6-fluoroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.9746 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.98188 141.7
[M+Na]+ 261.96382 154.9
[M-H]- 237.96732 146.7
[M+NH4]+ 257.00842 163.1
[M+K]+ 277.93776 143.1
[M+H-H2O]+ 221.97186 140.9
[M+HCOO]- 283.97280 161.2
[M+CH3COO]- 297.98845 156.9
[M+Na-2H]- 259.94927 151.4
[M]+ 238.97405 159.6
[M]- 238.97515 159.6
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.