CID 3088259

5-bromo-alpha-(4-fluorophenyl)-2-benzofuranmethanol

Structural Information

Molecular Formula
C15H10BrFO2
SMILES
C1=CC(=CC=C1C(C2=CC3=C(O2)C=CC(=C3)Br)O)F
InChI
InChI=1S/C15H10BrFO2/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
JYBPMXZSWISASV-UHFFFAOYSA-N
Compound name
(5-bromo-1-benzofuran-2-yl)-(4-fluorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.98483 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.99211 167.2
[M+Na]+ 342.97405 180.3
[M-H]- 318.97755 176.4
[M+NH4]+ 338.01865 186.4
[M+K]+ 358.94799 169.2
[M+H-H2O]+ 302.98209 166.6
[M+HCOO]- 364.98303 186.7
[M+CH3COO]- 378.99868 181.7
[M+Na-2H]- 340.95950 172.7
[M]+ 319.98428 187.2
[M]- 319.98538 187.2
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.