CID 11733996

427165-44-4

Structural Information

Molecular Formula
C38H26O2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=CC=C(C=C5)C6(C7=CC=CC=C7C8=CC=CC=C86)O)O
InChI
InChI=1S/C38H26O2/c39-37(33-13-5-1-9-29(33)30-10-2-6-14-34(30)37)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38(40)35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h1-24,39-40H
InChIKey
COCUJCCLTHFNHJ-UHFFFAOYSA-N
Compound name
9-[4-[4-(9-hydroxyfluoren-9-yl)phenyl]phenyl]fluoren-9-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

72
Patents

514.1933 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.20058 229.5
[M+Na]+ 537.18252 238.9
[M-H]- 513.18602 243.8
[M+NH4]+ 532.22712 244.0
[M+K]+ 553.15646 228.0
[M+H-H2O]+ 497.19056 216.3
[M+HCOO]- 559.19150 244.5
[M+CH3COO]- 573.20715 237.0
[M+Na-2H]- 535.16797 229.2
[M]+ 514.19275 229.1
[M]- 514.19385 229.1
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