CID 3067860

82158-29-0

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

16
Patents

301.99423 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.001506 163.2
[M+Na]+ 324.983448 175.4
[M-H]- 300.986954 173.3
[M+NH4]+ 320.028053 182.9
[M+K]+ 340.957388 164.8
[M+H-H2O]+ 284.991490 163.4
[M+HCOO]- 346.992431 183.7
[M+CH3COO]- 361.008081 178.0
[M+Na-2H]- 322.968896 170.0
[M]+ 301.99368142 183.8
[M]- 301.99477858 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