CID 40427004

5-bromo-3-chloro-2-methoxypyridine

Structural Information

Molecular Formula
C6H5BrClNO
SMILES
COC1=C(C=C(C=N1)Br)Cl
InChI
InChI=1S/C6H5BrClNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey
XCHXNAQRMMXBGN-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
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

literature stripe

Patent stripe

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