CID 28825295

4-(4-carbamoylphenoxy)benzoic acid

Structural Information

Molecular Formula
C14H11NO4
SMILES
C1=CC(=CC=C1C(=O)N)OC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
InChIKey
FIHJPVBFFYAION-UHFFFAOYSA-N
Compound name
4-(4-carbamoylphenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

257.06882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 156.2
[M+Na]+ 280.05804 168.3
[M+NH4]+ 275.10264 162.7
[M+K]+ 296.03198 163.4
[M-H]- 256.06154 159.1
[M+Na-2H]- 278.04349 163.4
[M]+ 257.06827 158.5
[M]- 257.06937 158.5
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