CID 3068792

2-benzofuranmethanol, alpha-(4-chlorophenyl)-5,7-dibromo-

Structural Information

Molecular Formula
C15H9Br2ClO2
SMILES
C1=CC(=CC=C1C(C2=CC3=CC(=CC(=C3O2)Br)Br)O)Cl
InChI
InChI=1S/C15H9Br2ClO2/c16-10-5-9-6-13(20-15(9)12(17)7-10)14(19)8-1-3-11(18)4-2-8/h1-7,14,19H
InChIKey
RJIFTAYSKLMMDO-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(5,7-dibromo-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.86578 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.87306 172.8
[M+Na]+ 436.85500 185.7
[M-H]- 412.85850 182.8
[M+NH4]+ 431.89960 190.0
[M+K]+ 452.82894 170.2
[M+H-H2O]+ 396.86304 181.7
[M+HCOO]- 458.86398 184.3
[M+CH3COO]- 472.87963 186.2
[M+Na-2H]- 434.84045 177.3
[M]+ 413.86523 210.5
[M]- 413.86633 210.5
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.