CID 8506

Fluorochrome

Structural Information

Molecular Formula
C20H9Br2HgO5
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C=C4OC5=C(C(=C(C=C35)Br)O)[Hg])O)Br
InChI
InChI=1S/C20H9Br2O5.Hg/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;/h1-7,23-24H;
InChIKey
QYASQKXPVNIEMX-UHFFFAOYSA-N
Compound name
(2',7'-dibromo-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-yl)mercury
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

150
References

0
Patents

688.8523 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.85958 221.1
[M+Na]+ 711.84152 230.9
[M-H]- 687.84502 229.7
[M+NH4]+ 706.88612 234.4
[M+K]+ 727.81546 218.7
[M+H-H2O]+ 671.84956 227.4
[M+HCOO]- 733.85050 227.6
[M+CH3COO]- 747.86615 229.9
[M+Na-2H]- 709.82697 222.0
[M]+ 688.85175 256.9
[M]- 688.85285 256.9
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

No patent data available for this compound.