CID 99508

3',6'-dichlorofluoran

Structural Information

Molecular Formula
C20H10Cl2O3
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)Cl)OC5=C3C=CC(=C5)Cl
InChI
InChI=1S/C20H10Cl2O3/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10H
InChIKey
LNBKJWCRFAZVLK-UHFFFAOYSA-N
Compound name
3',6'-dichlorospiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

290
Patents

368.0007 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.00798 181.9
[M+Na]+ 390.98992 195.7
[M-H]- 366.99342 191.7
[M+NH4]+ 386.03452 200.4
[M+K]+ 406.96386 189.8
[M+H-H2O]+ 350.99796 175.2
[M+HCOO]- 412.99890 190.3
[M+CH3COO]- 427.01455 194.1
[M+Na-2H]- 388.97537 187.7
[M]+ 368.00015 188.5
[M]- 368.00125 188.5
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