CID 92279

2,3,5-trichloro-6-methoxypyridine

Structural Information

Molecular Formula
C6H4Cl3NO
SMILES
COC1=NC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C6H4Cl3NO/c1-11-6-4(8)2-3(7)5(9)10-6/h2H,1H3
InChIKey
RLIVUWLXZBDMBL-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-6-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

34
Patents

210.93585 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.943126 133.4
[M+Na]+ 233.925068 145.6
[M-H]- 209.928574 134.6
[M+NH4]+ 228.969673 152.7
[M+K]+ 249.899008 140.7
[M+H-H2O]+ 193.933110 129.8
[M+HCOO]- 255.934051 142.5
[M+CH3COO]- 269.949701 184.7
[M+Na-2H]- 231.910516 138.8
[M]+ 210.93530142 137.8
[M]- 210.93639858 137.8
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