CID 89524

21601-78-5

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C(C=C1)C(C(=O)O)C(=O)OC2=CC=CC=C2
InChI
InChI=1S/C15H12O4/c16-14(17)13(11-7-3-1-4-8-11)15(18)19-12-9-5-2-6-10-12/h1-10,13H,(H,16,17)
InChIKey
IDJNJFYWPMDFNB-UHFFFAOYSA-N
Compound name
3-oxo-3-phenoxy-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

256.07355 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 156.2
[M+Na]+ 279.06277 161.4
[M-H]- 255.06627 161.2
[M+NH4]+ 274.10737 171.3
[M+K]+ 295.03671 159.0
[M+H-H2O]+ 239.07081 148.6
[M+HCOO]- 301.07175 176.9
[M+CH3COO]- 315.08740 191.0
[M+Na-2H]- 277.04822 159.6
[M]+ 256.07300 156.0
[M]- 256.07410 156.0
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