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
2
Annotation Hits

0
References

206
Patents

225.99933 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.006606 145.0
[M+Na]+ 248.988548 156.6
[M-H]- 224.992054 152.7
[M+NH4]+ 244.033153 168.5
[M+K]+ 264.962488 147.0
[M+H-H2O]+ 208.996590 146.1
[M+HCOO]- 270.997531 165.4
[M+CH3COO]- 285.013181 185.5
[M+Na-2H]- 246.973996 153.0
[M]+ 225.99878142 164.3
[M]- 225.99987858 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