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

54
Patents

176.97482 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98210 127.7
[M+Na]+ 199.96404 139.2
[M-H]- 175.96754 129.9
[M+NH4]+ 195.00864 148.3
[M+K]+ 215.93798 135.2
[M+H-H2O]+ 159.97208 123.3
[M+HCOO]- 221.97302 142.3
[M+CH3COO]- 235.98867 178.0
[M+Na-2H]- 197.94949 135.0
[M]+ 176.97427 131.9
[M]- 176.97537 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