CID 80609

2-(4-benzoylphenoxy)acetic acid

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C15H12O4/c16-14(17)10-19-13-8-6-12(7-9-13)15(18)11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKey
FQPOVZIKEBLFNG-UHFFFAOYSA-N
Compound name
2-(4-benzoylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

147
Patents

256.07355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 155.5
[M+Na]+ 279.06277 161.8
[M-H]- 255.06627 160.8
[M+NH4]+ 274.10737 170.9
[M+K]+ 295.03671 159.0
[M+H-H2O]+ 239.07081 148.0
[M+HCOO]- 301.07175 177.2
[M+CH3COO]- 315.08740 191.9
[M+Na-2H]- 277.04822 159.4
[M]+ 256.07300 156.5
[M]- 256.07410 156.5
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