CID 3269302

477889-74-0

Structural Information

Molecular Formula
C11H11BrO3
SMILES
CC(C1=CC2=CC(=CC(=C2O1)OC)Br)O
InChI
InChI=1S/C11H11BrO3/c1-6(13)9-4-7-3-8(12)5-10(14-2)11(7)15-9/h3-6,13H,1-2H3
InChIKey
GYBIEFSFMJAIKX-UHFFFAOYSA-N
Compound name
1-(5-bromo-7-methoxy-1-benzofuran-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.98917 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99645 152.5
[M+Na]+ 292.97839 166.1
[M-H]- 268.98189 160.1
[M+NH4]+ 288.02299 174.1
[M+K]+ 308.95233 156.6
[M+H-H2O]+ 252.98643 153.4
[M+HCOO]- 314.98737 173.1
[M+CH3COO]- 329.00302 192.2
[M+Na-2H]- 290.96384 159.0
[M]+ 269.98862 175.9
[M]- 269.98972 175.9
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.