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

38
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 172.3
[M+Na]+ 325.11990 177.6
[M-H]- 301.12340 181.4
[M+NH4]+ 320.16450 186.2
[M+K]+ 341.09384 173.1
[M+H-H2O]+ 285.12794 162.9
[M+HCOO]- 347.12888 194.1
[M+CH3COO]- 361.14453 204.4
[M+Na-2H]- 323.10535 175.8
[M]+ 302.13013 172.1
[M]- 302.13123 172.1
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