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
3
Annotation Hits

0
References

3818
Patents

370.10526 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.112536 184.5
[M+Na]+ 393.094478 187.6
[M-H]- 369.097984 190.0
[M+NH4]+ 388.139083 195.0
[M+K]+ 409.068418 186.6
[M+H-H2O]+ 353.102520 175.1
[M+HCOO]- 415.103461 204.9
[M+CH3COO]- 429.119111 213.3
[M+Na-2H]- 391.079926 184.9
[M]+ 370.10471142 190.1
[M]- 370.10580858 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