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

0
Patents

257.06882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.076096 155.2
[M+Na]+ 280.058038 161.9
[M-H]- 256.061544 160.5
[M+NH4]+ 275.102643 170.3
[M+K]+ 296.031978 159.1
[M+H-H2O]+ 240.066080 147.7
[M+HCOO]- 302.067021 177.7
[M+CH3COO]- 316.082671 194.8
[M+Na-2H]- 278.043486 158.3
[M]+ 257.06827142 154.5
[M]- 257.06936858 154.5
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