CID 2736085

2,5-dichloropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H3Cl2NO2
SMILES
C1=C(C=NC(=C1C(=O)O)Cl)Cl
InChI
InChI=1S/C6H3Cl2NO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChIKey
SXQSMLIMBNMUNB-UHFFFAOYSA-N
Compound name
2,5-dichloropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

435
Patents

190.95409 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.96137 129.2
[M+Na]+ 213.94331 140.3
[M-H]- 189.94681 130.3
[M+NH4]+ 208.98791 148.4
[M+K]+ 229.91725 135.8
[M+H-H2O]+ 173.95135 125.3
[M+HCOO]- 235.95229 142.0
[M+CH3COO]- 249.96794 177.3
[M+Na-2H]- 211.92876 134.9
[M]+ 190.95354 131.8
[M]- 190.95464 131.8
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