CID 120139

(methylidynetris(oxymethylene))trisbenzene

Structural Information

Molecular Formula

C₂₂H₂₂O₃

SMILES

C1=CC=C(C=C1)COC(OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22O3/c1-4-10-19(11-5-1)16-23-22(24-17-20-12-6-2-7-13-20)25-18-21-14-8-3-9-15-21/h1-15,22H,16-18H2

InChIKey

RVCMZHSHCNCMDS-UHFFFAOYSA-N

Compound name

bis(phenylmethoxy)methoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 334.1569 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	335.164176	181.1
[M+Na]+	357.146118	184.8
[M-H]-	333.149624	189.4
[M+NH4]+	352.190723	193.2
[M+K]+	373.120058	180.6
[M+H-H2O]+	317.154160	170.7
[M+HCOO]-	379.155101	203.4
[M+CH3COO]-	393.170751	208.7
[M+Na-2H]-	355.131566	185.8
[M]+	334.15635142	183.4
[M]-	334.15744858	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe