CID 3541567

Ethyl 2,4,6-triphenylbenzoate

Structural Information

Molecular Formula
C27H22O2
SMILES
CCOC(=O)C1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H22O2/c1-2-29-27(28)26-24(21-14-8-4-9-15-21)18-23(20-12-6-3-7-13-20)19-25(26)22-16-10-5-11-17-22/h3-19H,2H2,1H3
InChIKey
WAZDJPLMHHXAAF-UHFFFAOYSA-N
Compound name
ethyl 2,4,6-triphenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.162 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16928 194.9
[M+Na]+ 401.15122 200.7
[M-H]- 377.15472 206.8
[M+NH4]+ 396.19582 205.4
[M+K]+ 417.12516 194.1
[M+H-H2O]+ 361.15926 183.4
[M+HCOO]- 423.16020 216.4
[M+CH3COO]- 437.17585 204.5
[M+Na-2H]- 399.13667 196.9
[M]+ 378.16145 194.9
[M]- 378.16255 194.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe