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-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 154.2
[M+Na]+ 263.04272 164.3
[M-H]- 239.04622 157.2
[M+NH4]+ 258.08732 167.5
[M+K]+ 279.01666 159.7
[M+H-H2O]+ 223.05076 139.6
[M+HCOO]- 285.05170 172.1
[M+CH3COO]- 299.06735 200.2
[M+Na-2H]- 261.02817 158.8
[M]+ 240.05295 149.6
[M]- 240.05405 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