CID 3017521

Tribenzylphenol

Structural Information

Molecular Formula
C27H24O
SMILES
C1=CC=C(C=C1)CC2=C(C(=C(C=C2)O)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C27H24O/c28-27-17-16-24(18-21-10-4-1-5-11-21)25(19-22-12-6-2-7-13-22)26(27)20-23-14-8-3-9-15-23/h1-17,28H,18-20H2
InChIKey
XDESGXRLUIHEJT-UHFFFAOYSA-N
Compound name
2,3,4-tribenzylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

608
Patents

364.1827 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18998 191.6
[M+Na]+ 387.17192 197.3
[M-H]- 363.17542 202.1
[M+NH4]+ 382.21652 202.3
[M+K]+ 403.14586 189.0
[M+H-H2O]+ 347.17996 180.6
[M+HCOO]- 409.18090 212.3
[M+CH3COO]- 423.19655 200.9
[M+Na-2H]- 385.15737 194.5
[M]+ 364.18215 190.0
[M]- 364.18325 190.0
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