CID 2762904

3-bromo-5-phenylpyridine

Structural Information

Molecular Formula
C11H8BrN
SMILES
C1=CC=C(C=C1)C2=CC(=CN=C2)Br
InChI
InChI=1S/C11H8BrN/c12-11-6-10(7-13-8-11)9-4-2-1-3-5-9/h1-8H
InChIKey
AWCQJXPOCRXHNK-UHFFFAOYSA-N
Compound name
3-bromo-5-phenylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

307
Patents

232.98401 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.99129 140.4
[M+Na]+ 255.97323 152.3
[M-H]- 231.97673 148.5
[M+NH4]+ 251.01783 160.6
[M+K]+ 271.94717 140.8
[M+H-H2O]+ 215.98127 139.9
[M+HCOO]- 277.98221 162.1
[M+CH3COO]- 291.99786 155.9
[M+Na-2H]- 253.95868 150.5
[M]+ 232.98346 158.2
[M]- 232.98456 158.2
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