CID 244350

Methyl 2-benzhydrylbenzoate

Structural Information

Molecular Formula
C21H18O2
SMILES
COC(=O)C1=CC=CC=C1C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H18O2/c1-23-21(22)19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3
InChIKey
XWPJYAWEQCGKRJ-UHFFFAOYSA-N
Compound name
methyl 2-benzhydrylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

302.13068 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13796 172.7
[M+Na]+ 325.11990 189.0
[M+NH4]+ 320.16450 181.8
[M+K]+ 341.09384 179.8
[M-H]- 301.12340 179.9
[M+Na-2H]- 323.10535 184.8
[M]+ 302.13013 177.3
[M]- 302.13123 177.3
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