CID 21831160

5-(2-bromoethyl)-2,3-dihydrobenzofuran

Structural Information

Molecular Formula
C10H11BrO
SMILES
C1COC2=C1C=C(C=C2)CCBr
InChI
InChI=1S/C10H11BrO/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,7H,3-6H2
InChIKey
JRKZQRRYNCMSCB-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

225.99933 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.00661 145.0
[M+Na]+ 248.98855 156.6
[M-H]- 224.99205 152.7
[M+NH4]+ 244.03315 168.5
[M+K]+ 264.96249 147.0
[M+H-H2O]+ 208.99659 146.1
[M+HCOO]- 270.99753 165.4
[M+CH3COO]- 285.01318 185.5
[M+Na-2H]- 246.97400 153.0
[M]+ 225.99878 164.3
[M]- 225.99988 164.3
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