CID 3522577

Tris(4-dibenzofuryl)methanol

Structural Information

Molecular Formula
C37H22O4
SMILES
C1=CC=C2C(=C1)C3=C(O2)C(=CC=C3)C(C4=CC=CC5=C4OC6=CC=CC=C56)(C7=CC=CC8=C7OC9=CC=CC=C89)O
InChI
InChI=1S/C37H22O4/c38-37(28-16-7-13-25-22-10-1-4-19-31(22)39-34(25)28,29-17-8-14-26-23-11-2-5-20-32(23)40-35(26)29)30-18-9-15-27-24-12-3-6-21-33(24)41-36(27)30/h1-21,38H
InChIKey
QLIACIMGPUPJCS-UHFFFAOYSA-N
Compound name
tri(dibenzofuran-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.1518 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.15908 216.2
[M+Na]+ 553.14102 228.4
[M-H]- 529.14452 234.3
[M+NH4]+ 548.18562 227.3
[M+K]+ 569.11496 224.9
[M+H-H2O]+ 513.14906 209.9
[M+HCOO]- 575.15000 232.9
[M+CH3COO]- 589.16565 226.7
[M+Na-2H]- 551.12647 219.9
[M]+ 530.15125 226.4
[M]- 530.15235 226.4
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

No patent data available for this compound.