CID 371436

Dibenzylfluorescein

Structural Information

Molecular Formula
C34H24O5
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C4C=CC(=O)C=C4O3)C5=CC=CC=C5C(=O)OCC6=CC=CC=C6
InChI
InChI=1S/C34H24O5/c35-25-15-17-29-31(19-25)39-32-20-26(37-21-23-9-3-1-4-10-23)16-18-30(32)33(29)27-13-7-8-14-28(27)34(36)38-22-24-11-5-2-6-12-24/h1-20H,21-22H2
InChIKey
YZJGKSLPSGPFEV-UHFFFAOYSA-N
Compound name
benzyl 2-(3-oxo-6-phenylmethoxyxanthen-9-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

401
Patents

512.16235 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.16963 228.6
[M+Na]+ 535.15157 234.6
[M-H]- 511.15507 242.3
[M+NH4]+ 530.19617 233.2
[M+K]+ 551.12551 229.6
[M+H-H2O]+ 495.15961 213.9
[M+HCOO]- 557.16055 245.5
[M+CH3COO]- 571.17620 235.7
[M+Na-2H]- 533.13702 231.3
[M]+ 512.16180 231.9
[M]- 512.16290 231.9
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

No patent data available for this compound.