CID 3015242

2,3,4-tris(1-phenylethyl)phenol

Structural Information

Molecular Formula
C30H30O
SMILES
CC(C1=CC=CC=C1)C2=C(C(=C(C=C2)O)C(C)C3=CC=CC=C3)C(C)C4=CC=CC=C4
InChI
InChI=1S/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-20-28(31)30(23(3)26-17-11-6-12-18-26)29(27)22(2)25-15-9-5-10-16-25/h4-23,31H,1-3H3
InChIKey
SFJOBYZKUSLNIG-UHFFFAOYSA-N
Compound name
2,3,4-tris(1-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

989
Patents

406.22968 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.23696 203.7
[M+Na]+ 429.21890 206.8
[M-H]- 405.22240 213.8
[M+NH4]+ 424.26350 212.3
[M+K]+ 445.19284 199.8
[M+H-H2O]+ 389.22694 192.6
[M+HCOO]- 451.22788 220.4
[M+CH3COO]- 465.24353 211.3
[M+Na-2H]- 427.20435 201.7
[M]+ 406.22913 201.3
[M]- 406.23023 201.3
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