CID 12272857

5784-65-6

Structural Information

Molecular Formula
C21H20O2
SMILES
C1=CC=C(C=C1)COC(C2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H20O2/c1-4-10-18(11-5-1)16-22-21(20-14-8-3-9-15-20)23-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2
InChIKey
WMWUFFDJWAAUQH-UHFFFAOYSA-N
Compound name
bis(phenylmethoxy)methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

304.14633 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15361 173.3
[M+Na]+ 327.13555 177.6
[M-H]- 303.13905 181.8
[M+NH4]+ 322.18015 186.8
[M+K]+ 343.10949 173.0
[M+H-H2O]+ 287.14359 163.4
[M+HCOO]- 349.14453 195.8
[M+CH3COO]- 363.16018 183.8
[M+Na-2H]- 325.12100 178.6
[M]+ 304.14578 173.9
[M]- 304.14688 173.9
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