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
2
Annotation Hits

0
References

905
Patents

290.13068 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13796 168.4
[M+Na]+ 313.11990 174.4
[M-H]- 289.12340 177.4
[M+NH4]+ 308.16450 182.9
[M+K]+ 329.09384 169.6
[M+H-H2O]+ 273.12794 158.8
[M+HCOO]- 335.12888 192.3
[M+CH3COO]- 349.14453 179.9
[M+Na-2H]- 311.10535 174.7
[M]+ 290.13013 169.7
[M]- 290.13123 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