CID 52175860

1093641-47-4

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-cyano-2-pyridinyl)oxy]benzoic 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]+ 241.060776 154.2
[M+Na]+ 263.042718 164.3
[M-H]- 239.046224 157.2
[M+NH4]+ 258.087323 167.5
[M+K]+ 279.016658 159.7
[M+H-H2O]+ 223.050760 139.6
[M+HCOO]- 285.051701 172.1
[M+CH3COO]- 299.067351 200.2
[M+Na-2H]- 261.028166 158.8
[M]+ 240.05295142 149.6
[M]- 240.05404858 149.6
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