CID 49853415

5-bromo-2-chloro-4-methoxypyridine

Structural Information

Molecular Formula
C6H5BrClNO
SMILES
COC1=CC(=NC=C1Br)Cl
InChI
InChI=1S/C6H5BrClNO/c1-10-5-2-6(8)9-3-4(5)7/h2-3H,1H3
InChIKey
UUWWGXPWPZJEMG-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-4-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

220.9243 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.93158 134.3
[M+Na]+ 243.91352 139.9
[M+NH4]+ 238.95812 139.9
[M+K]+ 259.88746 139.0
[M-H]- 219.91702 135.0
[M+Na-2H]- 241.89897 139.1
[M]+ 220.92375 134.5
[M]- 220.92485 134.5
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