CID 2795539

5-bromo-2-(chloromethyl)benzo[b]furan

Structural Information

Molecular Formula
C9H6BrClO
SMILES
C1=CC2=C(C=C1Br)C=C(O2)CCl
InChI
InChI=1S/C9H6BrClO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5H2
InChIKey
IGVKTJSZEQNSNH-UHFFFAOYSA-N
Compound name
5-bromo-2-(chloromethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

243.92906 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.936336 142.6
[M+Na]+ 266.918278 158.4
[M-H]- 242.921784 151.3
[M+NH4]+ 261.962883 166.7
[M+K]+ 282.892218 146.8
[M+H-H2O]+ 226.926320 144.6
[M+HCOO]- 288.927261 161.5
[M+CH3COO]- 302.942911 159.7
[M+Na-2H]- 264.903726 152.0
[M]+ 243.92851142 166.5
[M]- 243.92960858 166.5
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

patents stripe