CID 21354187

3,5-dichloro-2-methoxypyridine

Structural Information

Molecular Formula
C6H5Cl2NO
SMILES
COC1=C(C=C(C=N1)Cl)Cl
InChI
InChI=1S/C6H5Cl2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey
XMASGFYUZZRWOE-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
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

literature stripe

Patent stripe

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