CID 83058

13027-28-6

Structural Information

Molecular Formula
C20H10Br4O4
SMILES
C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C20H10Br4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H
InChIKey
GNJLVMKERYSIAI-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

629.73126 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.73854 180.1
[M+Na]+ 652.72048 175.0
[M+NH4]+ 647.76508 180.9
[M+K]+ 668.69442 180.5
[M-H]- 628.72398 182.2
[M+Na-2H]- 650.70593 180.3
[M]+ 629.73071 180.5
[M]- 629.73181 180.5
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