CID 42553050

3,5-dibromo-2,6-dimethoxypyridine

Structural Information

Molecular Formula

C₇H₇Br₂NO₂

SMILES

COC1=C(C=C(C(=N1)OC)Br)Br

InChI

InChI=1S/C7H7Br2NO2/c1-11-6-4(8)3-5(9)7(10-6)12-2/h3H,1-2H3

InChIKey

SQWUBNSHUMRETN-UHFFFAOYSA-N

Compound name

3,5-dibromo-2,6-dimethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 294.88434 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	295.89162	133.5
[M+Na]+	317.87356	145.9
[M-H]-	293.87706	139.9
[M+NH4]+	312.91816	152.3
[M+K]+	333.84750	131.5
[M+H-H2O]+	277.88160	141.5
[M+HCOO]-	339.88254	150.1
[M+CH3COO]-	353.89819	203.0
[M+Na-2H]-	315.85901	141.7
[M]+	294.88379	170.4
[M]-	294.88489	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe