CID 2795539

5-bromo-2-(chloromethyl)benzofuran

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

35
Patents

243.92906 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.93634 142.6
[M+Na]+ 266.91828 158.4
[M-H]- 242.92178 151.3
[M+NH4]+ 261.96288 166.7
[M+K]+ 282.89222 146.8
[M+H-H2O]+ 226.92632 144.6
[M+HCOO]- 288.92726 161.5
[M+CH3COO]- 302.94291 159.7
[M+Na-2H]- 264.90373 152.0
[M]+ 243.92851 166.5
[M]- 243.92961 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