CID 46738783

3-bromo-2-chloro-6-methoxypyridine

Structural Information

Molecular Formula
C6H5BrClNO
SMILES
COC1=NC(=C(C=C1)Br)Cl
InChI
InChI=1S/C6H5BrClNO/c1-10-5-3-2-4(7)6(8)9-5/h2-3H,1H3
InChIKey
OSXXSYYRNKLDHE-UHFFFAOYSA-N
Compound name
3-bromo-2-chloro-6-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

220.9243 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.931576 130.4
[M+Na]+ 243.913518 145.0
[M-H]- 219.917024 136.1
[M+NH4]+ 238.958123 152.6
[M+K]+ 259.887458 133.2
[M+H-H2O]+ 203.921560 131.5
[M+HCOO]- 265.922501 148.1
[M+CH3COO]- 279.938151 183.6
[M+Na-2H]- 241.898966 139.8
[M]+ 220.92375142 152.3
[M]- 220.92484858 152.3
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