CID 22678351

5-bromo-3-(chloromethyl)-2-methoxypyridine

Structural Information

Molecular Formula
C7H7BrClNO
SMILES
COC1=C(C=C(C=N1)Br)CCl
InChI
InChI=1S/C7H7BrClNO/c1-11-7-5(3-9)2-6(8)4-10-7/h2,4H,3H2,1H3
InChIKey
OMZGLDIITCGQIN-UHFFFAOYSA-N
Compound name
5-bromo-3-(chloromethyl)-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

234.93996 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.94724 138.9
[M+Na]+ 257.92918 144.3
[M+NH4]+ 252.97378 144.4
[M+K]+ 273.90312 143.1
[M-H]- 233.93268 139.5
[M+Na-2H]- 255.91463 143.4
[M]+ 234.93941 139.0
[M]- 234.94051 139.0
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

patents stripe