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

11
Patents

239.05824 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.065516 156.3
[M+Na]+ 262.047458 166.5
[M-H]- 238.050964 160.8
[M+NH4]+ 257.092063 171.1
[M+K]+ 278.021398 161.4
[M+H-H2O]+ 222.055500 142.8
[M+HCOO]- 284.056441 175.3
[M+CH3COO]- 298.072091 200.5
[M+Na-2H]- 260.032906 160.3
[M]+ 239.05769142 151.8
[M]- 239.05878858 151.8
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