CID 64944

2',7'-dichlorofluorescein

Structural Information

Molecular Formula
C20H10Cl2O5
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl
InChI
InChI=1S/C20H10Cl2O5/c21-13-5-11-17(7-15(13)23)26-18-8-16(24)14(22)6-12(18)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChIKey
VFNKZQNIXUFLBC-UHFFFAOYSA-N
Compound name
2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

884
References

9049
Patents

399.99054 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.99782 185.8
[M+Na]+ 422.97976 200.0
[M-H]- 398.98326 194.0
[M+NH4]+ 418.02436 202.2
[M+K]+ 438.95370 194.7
[M+H-H2O]+ 382.98780 180.7
[M+HCOO]- 444.98874 191.7
[M+CH3COO]- 459.00439 197.3
[M+Na-2H]- 420.96521 190.7
[M]+ 399.98999 193.2
[M]- 399.99109 193.2
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