CID 58200106

5-(bromomethyl)-1,3-dihydro-2-benzofuran

Structural Information

Molecular Formula
C9H9BrO
SMILES
C1C2=C(CO1)C=C(C=C2)CBr
InChI
InChI=1S/C9H9BrO/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-3H,4-6H2
InChIKey
CIRVAEJDKAWZIA-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1,3-dihydro-2-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

211.98367 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.990946 140.2
[M+Na]+ 234.972888 152.2
[M-H]- 210.976394 148.0
[M+NH4]+ 230.017493 164.2
[M+K]+ 250.946828 142.9
[M+H-H2O]+ 194.980930 141.5
[M+HCOO]- 256.981871 160.9
[M+CH3COO]- 270.997521 156.3
[M+Na-2H]- 232.958336 148.8
[M]+ 211.98312142 159.2
[M]- 211.98421858 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe