CID 231629

Ethyl 2,2,2-triphenylacetate

Structural Information

Molecular Formula
C22H20O2
SMILES
CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H20O2/c1-2-24-21(23)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKey
QPNJJLNMWNWHEP-UHFFFAOYSA-N
Compound name
ethyl 2,2,2-triphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

316.14633 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15361 176.8
[M+Na]+ 339.13555 181.5
[M-H]- 315.13905 185.6
[M+NH4]+ 334.18015 190.0
[M+K]+ 355.10949 176.7
[M+H-H2O]+ 299.14359 167.5
[M+HCOO]- 361.14453 197.7
[M+CH3COO]- 375.16018 205.8
[M+Na-2H]- 337.12100 182.4
[M]+ 316.14578 176.7
[M]- 316.14688 176.7
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