CID 3015502

Einecs 250-220-8

Structural Information

Molecular Formula
C22H18O
SMILES
C1=CC=C(C=C1)C=CC2=C(C(=CC=C2)O)C=CC3=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
InChIKey
QFJLGRCDVFOSJG-UHFFFAOYSA-N
Compound name
2,3-bis(2-phenylethenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

358
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 172.3
[M+Na]+ 321.12499 178.9
[M-H]- 297.12849 180.2
[M+NH4]+ 316.16959 186.2
[M+K]+ 337.09893 170.9
[M+H-H2O]+ 281.13303 163.3
[M+HCOO]- 343.13397 194.3
[M+CH3COO]- 357.14962 183.0
[M+Na-2H]- 319.11044 176.5
[M]+ 298.13522 170.0
[M]- 298.13632 170.0
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