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]+ 257.01718 148.9
[M+Na]+ 278.99912 162.5
[M-H]- 255.00262 157.4
[M+NH4]+ 274.04372 173.7
[M+K]+ 294.97306 153.3
[M+H-H2O]+ 239.00716 150.7
[M+HCOO]- 301.00810 169.1
[M+CH3COO]- 315.02375 191.9
[M+Na-2H]- 276.98457 156.5
[M]+ 256.00935 171.1
[M]- 256.01045 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