CID 458193

4-benzyloxybenzophenone

Structural Information

Molecular Formula
C20H16O2
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H16O2/c21-20(17-9-5-2-6-10-17)18-11-13-19(14-12-18)22-15-16-7-3-1-4-8-16/h1-14H,15H2
InChIKey
NMPNTBQOLRXPGK-UHFFFAOYSA-N
Compound name
phenyl-(4-phenylmethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

716
Patents

288.11502 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12230 167.5
[M+Na]+ 311.10424 173.6
[M-H]- 287.10774 176.7
[M+NH4]+ 306.14884 182.0
[M+K]+ 327.07818 168.7
[M+H-H2O]+ 271.11228 158.2
[M+HCOO]- 333.11322 190.7
[M+CH3COO]- 347.12887 179.0
[M+Na-2H]- 309.08969 172.7
[M]+ 288.11447 167.6
[M]- 288.11557 167.6
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