CID 3043671

55916-27-3

Structural Information

Molecular Formula
C17H12O4
SMILES
CC(=O)OC1=CC=CC2=C1C(=O)C(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H12O4/c1-10(18)21-13-9-5-8-12-15(13)17(20)14(16(12)19)11-6-3-2-4-7-11/h2-9,14H,1H3
InChIKey
UNXCIGGLAICSNJ-UHFFFAOYSA-N
Compound name
(1,3-dioxo-2-phenylinden-4-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.080826 160.6
[M+Na]+ 303.062768 170.1
[M-H]- 279.066274 169.1
[M+NH4]+ 298.107373 179.5
[M+K]+ 319.036708 166.3
[M+H-H2O]+ 263.070810 154.0
[M+HCOO]- 325.071751 183.4
[M+CH3COO]- 339.087401 199.6
[M+Na-2H]- 301.048216 162.7
[M]+ 280.07300142 163.3
[M]- 280.07409858 163.3
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.