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]+ 240.06552 156.3
[M+Na]+ 262.04746 166.5
[M-H]- 238.05096 160.8
[M+NH4]+ 257.09206 171.1
[M+K]+ 278.02140 161.4
[M+H-H2O]+ 222.05550 142.8
[M+HCOO]- 284.05644 175.3
[M+CH3COO]- 298.07209 200.5
[M+Na-2H]- 260.03291 160.3
[M]+ 239.05769 151.8
[M]- 239.05879 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