CID 19010394

2,3-bis(1-phenylethyl)phenol

Structural Information

Molecular Formula
C22H22O
SMILES
CC(C1=CC=CC=C1)C2=C(C(=CC=C2)O)C(C)C3=CC=CC=C3
InChI
InChI=1S/C22H22O/c1-16(18-10-5-3-6-11-18)20-14-9-15-21(23)22(20)17(2)19-12-7-4-8-13-19/h3-17,23H,1-2H3
InChIKey
ALEYBMUCCRAJEB-UHFFFAOYSA-N
Compound name
2,3-bis(1-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

893
Patents

302.16705 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.174326 173.7
[M+Na]+ 325.156268 178.9
[M-H]- 301.159774 181.7
[M+NH4]+ 320.200873 187.4
[M+K]+ 341.130208 173.3
[M+H-H2O]+ 285.164310 164.9
[M+HCOO]- 347.165251 193.3
[M+CH3COO]- 361.180901 184.1
[M+Na-2H]- 323.141716 175.6
[M]+ 302.16650142 171.9
[M]- 302.16759858 171.9
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