CID 131292077

Ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate

Structural Information

Molecular Formula
C11H11BrO3
SMILES
CCOC(=O)C1CC2=C(O1)C=CC=C2Br
InChI
InChI=1S/C11H11BrO3/c1-2-14-11(13)10-6-7-8(12)4-3-5-9(7)15-10/h3-5,10H,2,6H2,1H3
InChIKey
NNTMXESCUDUAKE-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-2,3-dihydro-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.98917 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99645 154.2
[M+Na]+ 292.97839 165.9
[M-H]- 268.98189 162.1
[M+NH4]+ 288.02299 176.0
[M+K]+ 308.95233 156.9
[M+H-H2O]+ 252.98643 154.9
[M+HCOO]- 314.98737 173.8
[M+CH3COO]- 329.00302 192.6
[M+Na-2H]- 290.96384 160.0
[M]+ 269.98862 175.5
[M]- 269.98972 175.5
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.