CID 52175860

4-[(5-cyanopyridin-2-yl)oxy]benzoic acid

Structural Information

Molecular Formula
C13H8N2O3
SMILES
C1=CC(=CC=C1C(=O)O)OC2=NC=C(C=C2)C#N
InChI
InChI=1S/C13H8N2O3/c14-7-9-1-6-12(15-8-9)18-11-4-2-10(3-5-11)13(16)17/h1-6,8H,(H,16,17)
InChIKey
IVUDWMJNAPABOO-UHFFFAOYSA-N
Compound name
4-(5-cyanopyridin-2-yl)oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

240.0535 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06078 154.0
[M+Na]+ 263.04272 167.3
[M+NH4]+ 258.08732 157.7
[M+K]+ 279.01666 158.1
[M-H]- 239.04622 149.2
[M+Na-2H]- 261.02817 159.3
[M]+ 240.05295 153.7
[M]- 240.05405 153.7
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

patents stripe