CID 19922478

2-(2-cyanophenoxy)benzoic acid

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=C(C(=C1)C#N)OC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H9NO3/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8H,(H,16,17)
InChIKey
PEMGBOGQMDUJPS-UHFFFAOYSA-N
Compound name
2-(2-cyanophenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.05824 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

patents stripe