CID 71756527

4,5-dichloro-6-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C7H5Cl2NO2
SMILES
CC1=NC=C(C(=C1Cl)Cl)C(=O)O
InChI
InChI=1S/C7H5Cl2NO2/c1-3-5(8)6(9)4(2-10-3)7(11)12/h2H,1H3,(H,11,12)
InChIKey
CUAQUWGBUMCHMH-UHFFFAOYSA-N
Compound name
4,5-dichloro-6-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.96973 Da
Monoisotopic Mass

2.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.