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

10
Patents

296.99594 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.003216 157.9
[M+Na]+ 319.985158 168.2
[M-H]- 295.988664 161.9
[M+NH4]+ 315.029763 172.6
[M+K]+ 335.959098 162.3
[M+H-H2O]+ 279.993200 151.6
[M+HCOO]- 341.994141 170.0
[M+CH3COO]- 356.009791 197.0
[M+Na-2H]- 317.970606 161.8
[M]+ 296.99539142 162.8
[M]- 296.99648858 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