CID 676121

2,6-dichloro-4-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H5Cl2NO2
SMILES
CC1=CC(=NC(=C1C(=O)O)Cl)Cl
InChI
InChI=1S/C7H5Cl2NO2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12)
InChIKey
QOSNTWMXACGOMD-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

204.96973 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.977006 133.3
[M+Na]+ 227.958948 144.9
[M-H]- 203.962454 134.6
[M+NH4]+ 223.003553 152.2
[M+K]+ 243.932888 140.2
[M+H-H2O]+ 187.966990 129.5
[M+HCOO]- 249.967931 145.7
[M+CH3COO]- 263.983581 181.4
[M+Na-2H]- 225.944396 137.8
[M]+ 204.96918142 136.7
[M]- 204.97027858 136.7
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