CID 10105727

151427-19-9

Structural Information

Molecular Formula
C10H9BrO2
SMILES
C1COC2=C1C=C(C=C2)C(=O)CBr
InChI
InChI=1S/C10H9BrO2/c11-6-9(12)7-1-2-10-8(5-7)3-4-13-10/h1-2,5H,3-4,6H2
InChIKey
CZRHIPGIDWESKD-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

239.97859 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.985866 147.3
[M+Na]+ 262.967808 158.7
[M-H]- 238.971314 155.0
[M+NH4]+ 258.012413 170.0
[M+K]+ 278.941748 149.4
[M+H-H2O]+ 222.975850 148.2
[M+HCOO]- 284.976791 167.0
[M+CH3COO]- 298.992441 187.4
[M+Na-2H]- 260.953256 154.2
[M]+ 239.97804142 166.7
[M]- 239.97913858 166.7
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