CID 104074075

5-bromo-7-(chloromethyl)-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C9H8BrClO
SMILES
C1COC2=C1C=C(C=C2CCl)Br
InChI
InChI=1S/C9H8BrClO/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-4H,1-2,5H2
InChIKey
VJZGOODUSGUNLW-UHFFFAOYSA-N
Compound name
5-bromo-7-(chloromethyl)-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.94472 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95200 145.0
[M+Na]+ 268.93394 149.7
[M+NH4]+ 263.97854 151.6
[M+K]+ 284.90788 149.6
[M-H]- 244.93744 147.4
[M+Na-2H]- 266.91939 147.6
[M]+ 245.94417 145.5
[M]- 245.94527 145.5
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.