CID 27020

15086-94-9

Structural Information

Molecular Formula
C20H8Br4O5
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)O)Br)Br)O)Br
InChI
InChI=1S/C20H8Br4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H
InChIKey
DBZJJPROPLPMSN-UHFFFAOYSA-N
Compound name
2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

16
References

6214
Patents

643.7105 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.71778 176.5
[M+Na]+ 666.69972 180.9
[M-H]- 642.70322 181.5
[M+NH4]+ 661.74432 184.4
[M+K]+ 682.67366 172.5
[M+H-H2O]+ 626.70776 194.5
[M+HCOO]- 688.70870 178.6
[M+CH3COO]- 702.72435 182.1
[M+Na-2H]- 664.68517 177.1
[M]+ 643.70995 215.5
[M]- 643.71105 215.5
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