CID 65569

76-62-0

Structural Information

Molecular Formula
C20H10Br4O4
SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)Br)O)Br)C4=CC(=C(C(=C4)Br)O)Br
InChI
InChI=1S/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H
InChIKey
OBRGVMYQZVQHGO-UHFFFAOYSA-N
Compound name
3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

399
Patents

629.73126 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.73854 181.1
[M+Na]+ 652.72048 185.6
[M-H]- 628.72398 186.7
[M+NH4]+ 647.76508 189.0
[M+K]+ 668.69442 175.5
[M+H-H2O]+ 612.72852 199.1
[M+HCOO]- 674.72946 184.6
[M+CH3COO]- 688.74511 186.7
[M+Na-2H]- 650.70593 180.4
[M]+ 629.73071 220.0
[M]- 629.73181 220.0
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