CID 785217

3-(4-cyanophenoxy)benzoic acid

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)C#N)C(=O)O
InChI
InChI=1S/C14H9NO3/c15-9-10-4-6-12(7-5-10)18-13-3-1-2-11(8-13)14(16)17/h1-8H,(H,16,17)
InChIKey
AZKSUIJUHZJOKF-UHFFFAOYSA-N
Compound name
3-(4-cyanophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

239.05824 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 154.0
[M+Na]+ 262.04746 167.3
[M+NH4]+ 257.09206 158.2
[M+K]+ 278.02140 157.7
[M-H]- 238.05096 149.9
[M+Na-2H]- 260.03291 159.5
[M]+ 239.05769 153.9
[M]- 239.05879 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe