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

312
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

literature stripe

Patent stripe

patents stripe