CID 224396

6-(bromomethyl)quinoline hydrobromide

Structural Information

Molecular Formula
C10H8BrN
SMILES
C1=CC2=C(C=CC(=C2)CBr)N=C1
InChI
InChI=1S/C10H8BrN/c11-7-8-3-4-10-9(6-8)2-1-5-12-10/h1-6H,7H2
InChIKey
ZPTNKPYDDZEAPA-UHFFFAOYSA-N
Compound name
6-(bromomethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
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 137.8
[M+Na]+ 243.97323 150.2
[M-H]- 219.97673 143.8
[M+NH4]+ 239.01783 159.7
[M+K]+ 259.94717 138.8
[M+H-H2O]+ 203.98127 137.9
[M+HCOO]- 265.98221 158.4
[M+CH3COO]- 279.99786 153.3
[M+Na-2H]- 241.95868 148.9
[M]+ 220.98346 156.5
[M]- 220.98456 156.5
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