CID 10826103

188240-68-8

Structural Information

Molecular Formula
C11H13BrO3
SMILES
CCOC(=O)C1=C2CCCCC2=C(O1)Br
InChI
InChI=1S/C11H13BrO3/c1-2-14-11(13)9-7-5-3-4-6-8(7)10(12)15-9/h2-6H2,1H3
InChIKey
XQXYGCKXMKFEPY-UHFFFAOYSA-N
Compound name
ethyl 3-bromo-4,5,6,7-tetrahydro-2-benzofuran-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.00482 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.01210 156.2
[M+Na]+ 294.99404 167.0
[M-H]- 270.99754 163.7
[M+NH4]+ 290.03864 177.8
[M+K]+ 310.96798 158.0
[M+H-H2O]+ 255.00208 156.9
[M+HCOO]- 317.00302 174.3
[M+CH3COO]- 331.01867 192.9
[M+Na-2H]- 292.97949 161.0
[M]+ 272.00427 176.1
[M]- 272.00537 176.1
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

No patent data available for this compound.