CID 12417418

2-(bromomethyl)quinoline

Structural Information

Molecular Formula
C10H8BrN
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CBr
InChI
InChI=1S/C10H8BrN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2
InChIKey
NNAYPIDFVQLEDK-UHFFFAOYSA-N
Compound name
2-(bromomethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

560
Patents

220.98401 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99129 137.0
[M+Na]+ 243.97323 143.0
[M+NH4]+ 239.01783 143.5
[M+K]+ 259.94717 141.0
[M-H]- 219.97673 139.0
[M+Na-2H]- 241.95868 142.8
[M]+ 220.98346 137.4
[M]- 220.98456 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe