CID 621193

Triphenylmethyl benzoate

Structural Information

Molecular Formula
C26H20O2
SMILES
C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H20O2/c27-25(21-13-5-1-6-14-21)28-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey
IWTBESTVUWMZEH-UHFFFAOYSA-N
Compound name
trityl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

58
Patents

364.14633 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15361 189.6
[M+Na]+ 387.13555 193.6
[M-H]- 363.13905 200.9
[M+NH4]+ 382.18015 199.9
[M+K]+ 403.10949 187.5
[M+H-H2O]+ 347.14359 178.6
[M+HCOO]- 409.14453 209.9
[M+CH3COO]- 423.16018 198.9
[M+Na-2H]- 385.12100 195.2
[M]+ 364.14578 187.7
[M]- 364.14688 187.7
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