CID 3067877

Brn 5562721

Structural Information

Molecular Formula
C15H10BrClO2
SMILES
C1=CC(=CC=C1C(C2=CC3=C(O2)C=CC(=C3)Br)O)Cl
InChI
InChI=1S/C15H10BrClO2/c16-11-3-6-13-10(7-11)8-14(19-13)15(18)9-1-4-12(17)5-2-9/h1-8,15,18H
InChIKey
FDJFSQBODDLOFX-UHFFFAOYSA-N
Compound name
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

335.95526 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.96254 169.0
[M+Na]+ 358.94448 183.1
[M-H]- 334.94798 179.3
[M+NH4]+ 353.98908 188.5
[M+K]+ 374.91842 170.7
[M+H-H2O]+ 318.95252 169.9
[M+HCOO]- 380.95346 185.1
[M+CH3COO]- 394.96911 183.8
[M+Na-2H]- 356.92993 174.8
[M]+ 335.95471 192.1
[M]- 335.95581 192.1
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

patents stripe