CID 346914

8-(bromomethyl)quinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

372
Patents

220.98401 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.991286 137.8
[M+Na]+ 243.973228 150.2
[M-H]- 219.976734 143.8
[M+NH4]+ 239.017833 159.7
[M+K]+ 259.947168 138.8
[M+H-H2O]+ 203.981270 137.9
[M+HCOO]- 265.982211 158.4
[M+CH3COO]- 279.997861 153.3
[M+Na-2H]- 241.958676 148.9
[M]+ 220.98346142 156.5
[M]- 220.98455858 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