CID 6365359

Einecs 250-220-8

Structural Information

Molecular Formula
C22H18O
SMILES
C1=CC=C(C=C1)/C=C/C2=C(C(=CC=C2)O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C22H18O/c23-22-13-7-12-20(16-14-18-8-3-1-4-9-18)21(22)17-15-19-10-5-2-6-11-19/h1-17,23H/b16-14+,17-15+
InChIKey
QFJLGRCDVFOSJG-YXLFCKQPSA-N
Compound name
2,3-bis[(E)-2-phenylethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

298.13577 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14305 174.4
[M+Na]+ 321.12499 191.6
[M+NH4]+ 316.16959 183.5
[M+K]+ 337.09893 180.3
[M-H]- 297.12849 181.7
[M+Na-2H]- 319.11044 186.4
[M]+ 298.13522 179.2
[M]- 298.13632 179.2
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