CID 137197

1760-46-9

Structural Information

Molecular Formula
C28H22O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H22O3/c29-27(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)31-28(30)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKey
YZMRCMTTYLBDPD-UHFFFAOYSA-N
Compound name
(2,2-diphenylacetyl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

406.1569 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16418 200.6
[M+Na]+ 429.14612 202.3
[M-H]- 405.14962 211.4
[M+NH4]+ 424.19072 208.5
[M+K]+ 445.12006 197.2
[M+H-H2O]+ 389.15416 189.0
[M+HCOO]- 451.15510 219.1
[M+CH3COO]- 465.17075 208.3
[M+Na-2H]- 427.13157 201.0
[M]+ 406.15635 198.6
[M]- 406.15745 198.6
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