CID 11162091

1,2-bis(phenoxymethyl)benzene

Structural Information

Molecular Formula
C20H18O2
SMILES
C1=CC=C(C=C1)OCC2=CC=CC=C2COC3=CC=CC=C3
InChI
InChI=1S/C20H18O2/c1-3-11-19(12-4-1)21-15-17-9-7-8-10-18(17)16-22-20-13-5-2-6-14-20/h1-14H,15-16H2
InChIKey
JTWBMEAENZGSOQ-UHFFFAOYSA-N
Compound name
1,2-bis(phenoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1064
Patents

290.13068 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.137956 168.4
[M+Na]+ 313.119898 174.4
[M-H]- 289.123404 177.4
[M+NH4]+ 308.164503 182.9
[M+K]+ 329.093838 169.6
[M+H-H2O]+ 273.127940 158.8
[M+HCOO]- 335.128881 192.3
[M+CH3COO]- 349.144531 179.9
[M+Na-2H]- 311.105346 174.7
[M]+ 290.13013142 169.7
[M]- 290.13122858 169.7
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