CID 80424

Tetrachlorofluorescein

Structural Information

Molecular Formula
C20H8Cl4O5
SMILES
C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)C=CC(=C3)O
InChI
InChI=1S/C20H8Cl4O5/c21-15-13-14(16(22)18(24)17(15)23)20(29-19(13)27)9-3-1-7(25)5-11(9)28-12-6-8(26)2-4-10(12)20/h1-6,25-26H
InChIKey
QCPFFGGFHNZBEP-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

5418
Patents

467.9126 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.91988 195.6
[M+Na]+ 490.90182 210.1
[M-H]- 466.90532 201.1
[M+NH4]+ 485.94642 209.4
[M+K]+ 506.87576 205.5
[M+H-H2O]+ 450.90986 192.0
[M+HCOO]- 512.91080 191.1
[M+CH3COO]- 526.92645 205.0
[M+Na-2H]- 488.88727 196.9
[M]+ 467.91205 203.5
[M]- 467.91315 203.5
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