CID 108467

[bis[(3-phenylallyl)oxy]methyl]vinylbenzene

Structural Information

Molecular Formula
C27H26O2
SMILES
C=C(C1=CC=CC=C1)C(OCC=CC2=CC=CC=C2)OCC=CC3=CC=CC=C3
InChI
InChI=1S/C27H26O2/c1-23(26-19-9-4-10-20-26)27(28-21-11-17-24-13-5-2-6-14-24)29-22-12-18-25-15-7-3-8-16-25/h2-20,27H,1,21-22H2
InChIKey
SEFQOXAMNBWQDZ-UHFFFAOYSA-N
Compound name
3,3-bis(3-phenylprop-2-enoxy)prop-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.19327 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20055 198.2
[M+Na]+ 405.18249 200.4
[M-H]- 381.18599 205.6
[M+NH4]+ 400.22709 208.1
[M+K]+ 421.15643 193.2
[M+H-H2O]+ 365.19053 187.3
[M+HCOO]- 427.19147 218.1
[M+CH3COO]- 441.20712 218.7
[M+Na-2H]- 403.16794 198.9
[M]+ 382.19272 197.9
[M]- 382.19382 197.9
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

No patent data available for this compound.