CID 71303272

4-bromo-2-chloro-6-methoxypyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

220.9243 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.93158 130.4
[M+Na]+ 243.91352 145.0
[M-H]- 219.91702 136.1
[M+NH4]+ 238.95812 152.6
[M+K]+ 259.88746 133.2
[M+H-H2O]+ 203.92156 131.5
[M+HCOO]- 265.92250 148.1
[M+CH3COO]- 279.93815 183.6
[M+Na-2H]- 241.89897 139.8
[M]+ 220.92375 152.3
[M]- 220.92485 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

No literature data available for this compound.

Patent stripe

patents stripe