CID 23497351

(3-bromo-1-benzofuran-2-yl)methanol

Structural Information

Molecular Formula
C9H7BrO2
SMILES
C1=CC=C2C(=C1)C(=C(O2)CO)Br
InChI
InChI=1S/C9H7BrO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,11H,5H2
InChIKey
WOLMUPDGDOIEEX-UHFFFAOYSA-N
Compound name
(3-bromo-1-benzofuran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.96294 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.97022 139.9
[M+Na]+ 248.95216 144.6
[M+NH4]+ 243.99676 145.6
[M+K]+ 264.92610 145.8
[M-H]- 224.95566 141.8
[M+Na-2H]- 246.93761 143.1
[M]+ 225.96239 140.0
[M]- 225.96349 140.0
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