CID 70701123

3-bromo-5-chloro-4-methoxypyridine

Structural Information

Molecular Formula
C6H5BrClNO
SMILES
COC1=C(C=NC=C1Cl)Br
InChI
InChI=1S/C6H5BrClNO/c1-10-6-4(7)2-9-3-5(6)8/h2-3H,1H3
InChIKey
VMEHRFMNTODKGK-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-4-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

220.9243 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe