CID 219999

Tribiphenyl-4-ylmethanol

Structural Information

Molecular Formula
C37H28O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)O
InChI
InChI=1S/C37H28O/c38-37(34-22-16-31(17-23-34)28-10-4-1-5-11-28,35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30/h1-27,38H
InChIKey
FURWFDHTIUIMDC-UHFFFAOYSA-N
Compound name
tris(4-phenylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.21402 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.22130 225.6
[M+Na]+ 511.20324 228.9
[M-H]- 487.20674 240.1
[M+NH4]+ 506.24784 229.1
[M+K]+ 527.17718 219.1
[M+H-H2O]+ 471.21128 211.1
[M+HCOO]- 533.21222 242.1
[M+CH3COO]- 547.22787 231.4
[M+Na-2H]- 509.18869 227.8
[M]+ 488.21347 220.2
[M]- 488.21457 220.2
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