CID 93249

Oxirane, 2,2'-[9h-fluoren-9-ylidenebis(4,1-phenyleneoxymethylene)]bis-

Structural Information

Molecular Formula
C31H26O4
SMILES
C1C(O1)COC2=CC=C(C=C2)C3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=C(C=C6)OCC7CO7
InChI
InChI=1S/C31H26O4/c1-3-7-29-27(5-1)28-6-2-4-8-30(28)31(29,21-9-13-23(14-10-21)32-17-25-19-34-25)22-11-15-24(16-12-22)33-18-26-20-35-26/h1-16,25-26H,17-20H2
InChIKey
LCSAOPVSVLGDLE-UHFFFAOYSA-N
Compound name
2-[[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1929
Patents

462.1831 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.19038 200.2
[M+Na]+ 485.17232 207.4
[M-H]- 461.17582 215.6
[M+NH4]+ 480.21692 200.8
[M+K]+ 501.14626 207.9
[M+H-H2O]+ 445.18036 192.5
[M+HCOO]- 507.18130 215.7
[M+CH3COO]- 521.19695 207.8
[M+Na-2H]- 483.15777 202.0
[M]+ 462.18255 208.3
[M]- 462.18365 208.3
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