CID 21828361

6-bromo-2,3-dimethoxypyridine

Structural Information

Molecular Formula

C₇H₈BrNO₂

SMILES

COC1=C(N=C(C=C1)Br)OC

InChI

InChI=1S/C7H8BrNO2/c1-10-5-3-4-6(8)9-7(5)11-2/h3-4H,1-2H3

InChIKey

KUEBOEUQASVFTR-UHFFFAOYSA-N

Compound name

6-bromo-2,3-dimethoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 216.97385 Da
Monoisotopic Mass: 2.2
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]+	217.981126	133.3
[M+Na]+	239.963068	146.4
[M-H]-	215.966574	139.0
[M+NH4]+	235.007673	154.7
[M+K]+	255.937008	136.8
[M+H-H2O]+	199.971110	133.2
[M+HCOO]-	261.972051	155.2
[M+CH3COO]-	275.987701	184.7
[M+Na-2H]-	237.948516	142.4
[M]+	216.97330142	155.1
[M]-	216.97439858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe