CID 60004985

211510-16-6

Structural Information

Molecular Formula
C20H18O7
SMILES
C1=CC=C(C=C1)C(=O)C(=O)OCCOCCOC(=O)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H18O7/c21-17(15-7-3-1-4-8-15)19(23)26-13-11-25-12-14-27-20(24)18(22)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
FIOCEWASVZHBTK-UHFFFAOYSA-N
Compound name
2-[2-(2-oxo-2-phenylacetyl)oxyethoxy]ethyl 2-oxo-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5746
Patents

370.10526 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 184.5
[M+Na]+ 393.09448 187.6
[M-H]- 369.09798 190.0
[M+NH4]+ 388.13908 195.0
[M+K]+ 409.06842 186.6
[M+H-H2O]+ 353.10252 175.1
[M+HCOO]- 415.10346 204.9
[M+CH3COO]- 429.11911 213.3
[M+Na-2H]- 391.07993 184.9
[M]+ 370.10471 190.1
[M]- 370.10581 190.1
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

patents stripe