CID 22323246

4-bromo-3,5-dimethylpyridine

Structural Information

Molecular Formula
C7H8BrN
SMILES
CC1=CN=CC(=C1Br)C
InChI
InChI=1S/C7H8BrN/c1-5-3-9-4-6(2)7(5)8/h3-4H,1-2H3
InChIKey
HYZVAVYBDNKXDG-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

508
Patents

184.98401 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.991286 127.6
[M+Na]+ 207.973228 140.9
[M-H]- 183.976734 133.3
[M+NH4]+ 203.017833 150.4
[M+K]+ 223.947168 130.5
[M+H-H2O]+ 167.981270 128.1
[M+HCOO]- 229.982211 149.2
[M+CH3COO]- 243.997861 181.0
[M+Na-2H]- 205.958676 136.8
[M]+ 184.98346142 146.7
[M]- 184.98455858 146.7
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