CID 280558

Diphenylmethyl benzoate

Structural Information

Molecular Formula
C20H16O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H16O2/c21-20(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
InChIKey
ZNRTVHASLDGVBC-UHFFFAOYSA-N
Compound name
benzhydryl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

288.11502 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12230 168.0
[M+Na]+ 311.10424 172.8
[M-H]- 287.10774 176.9
[M+NH4]+ 306.14884 182.1
[M+K]+ 327.07818 168.4
[M+H-H2O]+ 271.11228 158.7
[M+HCOO]- 333.11322 190.1
[M+CH3COO]- 347.12887 179.0
[M+Na-2H]- 309.08969 172.7
[M]+ 288.11447 167.0
[M]- 288.11557 167.0
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

No patent data available for this compound.