CID 136388

596-31-6

Structural Information

Molecular Formula
C20H18O
SMILES
COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H18O/c1-21-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKey
IRMNIXXVOOMKKP-UHFFFAOYSA-N
Compound name
[methoxy(diphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12238
Patents

274.13577 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14305 165.0
[M+Na]+ 297.12499 170.8
[M-H]- 273.12849 174.1
[M+NH4]+ 292.16959 180.1
[M+K]+ 313.09893 165.7
[M+H-H2O]+ 257.13303 156.2
[M+HCOO]- 319.13397 187.2
[M+CH3COO]- 333.14962 176.6
[M+Na-2H]- 295.11044 172.8
[M]+ 274.13522 164.2
[M]- 274.13632 164.2
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