CID 3088256

Alpha-(4-chlorophenyl)-5,7-dibromo-6-methoxy-2-benzofuranmethanol

Structural Information

Molecular Formula
C16H11Br2ClO3
SMILES
COC1=C(C=C2C=C(OC2=C1Br)C(C3=CC=C(C=C3)Cl)O)Br
InChI
InChI=1S/C16H11Br2ClO3/c1-21-16-11(17)6-9-7-12(22-15(9)13(16)18)14(20)8-2-4-10(19)5-3-8/h2-7,14,20H,1H3
InChIKey
UVESLRCQOLHKMJ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(5,7-dibromo-6-methoxy-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.87634 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.88362 180.2
[M+Na]+ 466.86556 177.3
[M+NH4]+ 461.91016 182.2
[M+K]+ 482.83950 183.0
[M-H]- 442.86906 182.7
[M+Na-2H]- 464.85101 180.9
[M]+ 443.87579 179.8
[M]- 443.87689 179.8
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.