CID 22923849

3-[(3,4-dichlorophenyl)methoxy]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C13H9Cl2NO3
SMILES
C1=CC(=C(N=C1)C(=O)O)OCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2NO3/c14-9-4-3-8(6-10(9)15)7-19-11-2-1-5-16-12(11)13(17)18/h1-6H,7H2,(H,17,18)
InChIKey
ACWMJGJCAMAMII-UHFFFAOYSA-N
Compound name
3-[(3,4-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

296.99594 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.00322 157.9
[M+Na]+ 319.98516 168.2
[M-H]- 295.98866 161.9
[M+NH4]+ 315.02976 172.6
[M+K]+ 335.95910 162.3
[M+H-H2O]+ 279.99320 151.6
[M+HCOO]- 341.99414 170.0
[M+CH3COO]- 356.00979 197.0
[M+Na-2H]- 317.97061 161.8
[M]+ 296.99539 162.8
[M]- 296.99649 162.8
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