CID 316280

Solvent red 47

Structural Information

Molecular Formula
C20H6Cl2I4O5
SMILES
C1=CC(=C2C(=C1Cl)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I)Cl
InChI
InChI=1S/C20H6Cl2I4O5/c21-7-1-2-8(22)12-11(7)19(29)31-20(12)5-3-9(23)15(27)13(25)17(5)30-18-6(20)4-10(24)16(28)14(18)26/h1-4,27-28H
InChIKey
STRXNPAVPKGJQR-UHFFFAOYSA-N
Compound name
4,7-dichloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25727
Patents

903.5771 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 904.58438 226.7
[M+Na]+ 926.56632 215.5
[M-H]- 902.56982 219.7
[M+NH4]+ 921.61092 223.8
[M+K]+ 942.54026 227.3
[M+H-H2O]+ 886.57436 215.1
[M+HCOO]- 948.57530 219.1
[M+CH3COO]- 962.59095 220.3
[M+Na-2H]- 924.55177 207.3
[M]+ 903.57655 222.6
[M]- 903.57765 222.6
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

patents stripe