CID 121230181

6-bromo-2-chloro-3-methoxy-4-methylpyridine

Structural Information

Molecular Formula
C7H7BrClNO
SMILES
CC1=CC(=NC(=C1OC)Cl)Br
InChI
InChI=1S/C7H7BrClNO/c1-4-3-5(8)10-7(9)6(4)11-2/h3H,1-2H3
InChIKey
WUOCYPJPONQBDU-UHFFFAOYSA-N
Compound name
6-bromo-2-chloro-3-methoxy-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.93996 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.947236 134.5
[M+Na]+ 257.929178 149.5
[M-H]- 233.932684 140.4
[M+NH4]+ 252.973783 156.5
[M+K]+ 273.903118 137.5
[M+H-H2O]+ 217.937220 135.5
[M+HCOO]- 279.938161 151.8
[M+CH3COO]- 293.953811 187.4
[M+Na-2H]- 255.914626 142.7
[M]+ 234.93941142 157.0
[M]- 234.94050858 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.