CID 3067860

Brn 5544099

Structural Information

Molecular Formula
C15H11BrO2
SMILES
C1=CC=C(C=C1)C(C2=CC3=C(O2)C=CC(=C3)Br)O
InChI
InChI=1S/C15H11BrO2/c16-12-6-7-13-11(8-12)9-14(18-13)15(17)10-4-2-1-3-5-10/h1-9,15,17H
InChIKey
FGQZVPZMZJBGIY-UHFFFAOYSA-N
Compound name
(5-bromo-1-benzofuran-2-yl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

301.99423 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.00151 163.2
[M+Na]+ 324.98345 175.4
[M-H]- 300.98695 173.3
[M+NH4]+ 320.02805 182.9
[M+K]+ 340.95739 164.8
[M+H-H2O]+ 284.99149 163.4
[M+HCOO]- 346.99243 183.7
[M+CH3COO]- 361.00808 178.0
[M+Na-2H]- 322.96890 170.0
[M]+ 301.99368 183.8
[M]- 301.99478 183.8
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

patents stripe