CID 11097214

185406-76-2

Structural Information

Molecular Formula
C11H13BrO2
SMILES
CC1(CC2=C(C=CC(=C2O1)OC)Br)C
InChI
InChI=1S/C11H13BrO2/c1-11(2)6-7-8(12)4-5-9(13-3)10(7)14-11/h4-5H,6H2,1-3H3
InChIKey
XYSYKOFMYLWSKX-UHFFFAOYSA-N
Compound name
4-bromo-7-methoxy-2,2-dimethyl-3H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

256.0099 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.017176 148.9
[M+Na]+ 278.999118 162.5
[M-H]- 255.002624 157.4
[M+NH4]+ 274.043723 173.7
[M+K]+ 294.973058 153.3
[M+H-H2O]+ 239.007160 150.7
[M+HCOO]- 301.008101 169.1
[M+CH3COO]- 315.023751 191.9
[M+Na-2H]- 276.984566 156.5
[M]+ 256.00935142 171.1
[M]- 256.01044858 171.1
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