CID 3764404

117344-32-8

Structural Information

Molecular Formula
C29H26O4
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)OCCO)C5=CC=C(C=C5)OCCO
InChI
InChI=1S/C29H26O4/c30-17-19-32-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)33-20-18-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,30-31H,17-20H2
InChIKey
NQXNYVAALXGLQT-UHFFFAOYSA-N
Compound name
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6703
Patents

438.1831 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.19038 209.1
[M+Na]+ 461.17232 215.9
[M-H]- 437.17582 217.9
[M+NH4]+ 456.21692 222.1
[M+K]+ 477.14626 208.7
[M+H-H2O]+ 421.18036 198.8
[M+HCOO]- 483.18130 227.0
[M+CH3COO]- 497.19695 217.6
[M+Na-2H]- 459.15777 211.7
[M]+ 438.18255 212.2
[M]- 438.18365 212.2
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