CID 23082582

4,5-dichloro-2-methoxypyridine

Structural Information

Molecular Formula
C6H5Cl2NO
SMILES
COC1=NC=C(C(=C1)Cl)Cl
InChI
InChI=1S/C6H5Cl2NO/c1-10-6-2-4(7)5(8)3-9-6/h2-3H,1H3
InChIKey
MHKHADZFQUGJOM-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

176.97482 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.982096 127.7
[M+Na]+ 199.964038 139.2
[M-H]- 175.967544 129.9
[M+NH4]+ 195.008643 148.3
[M+K]+ 215.937978 135.2
[M+H-H2O]+ 159.972080 123.3
[M+HCOO]- 221.973021 142.3
[M+CH3COO]- 235.988671 178.0
[M+Na-2H]- 197.949486 135.0
[M]+ 176.97427142 131.9
[M]- 176.97536858 131.9
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