CID 510864

Chembl177767

Structural Information

Molecular Formula
C17H14O4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C17H14O4/c18-14(11-15(19)17(20)21)16(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,16H,11H2,(H,20,21)
InChIKey
JOCHGVOUYRAZGQ-UHFFFAOYSA-N
Compound name
2,4-dioxo-5,5-diphenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 163.7
[M+Na]+ 305.07842 167.9
[M-H]- 281.08192 168.4
[M+NH4]+ 300.12302 177.4
[M+K]+ 321.05236 165.1
[M+H-H2O]+ 265.08646 156.0
[M+HCOO]- 327.08740 182.9
[M+CH3COO]- 341.10305 197.8
[M+Na-2H]- 303.06387 164.9
[M]+ 282.08865 163.0
[M]- 282.08975 163.0
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

No patent data available for this compound.