CID 4682857

2-bromo-1-(5-chloro-1-benzofuran-2-yl)ethan-1-one

Structural Information

Molecular Formula
C10H6BrClO2
SMILES
C1=CC2=C(C=C1Cl)C=C(O2)C(=O)CBr
InChI
InChI=1S/C10H6BrClO2/c11-5-8(13)10-4-6-3-7(12)1-2-9(6)14-10/h1-4H,5H2
InChIKey
VPUBAVYOQQLHPM-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-chloro-1-benzofuran-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

271.92398 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.93126 149.4
[M+Na]+ 294.91320 164.6
[M-H]- 270.91670 158.0
[M+NH4]+ 289.95780 172.2
[M+K]+ 310.88714 153.0
[M+H-H2O]+ 254.92124 151.1
[M+HCOO]- 316.92218 167.4
[M+CH3COO]- 330.93783 191.5
[M+Na-2H]- 292.89865 157.1
[M]+ 271.92343 173.7
[M]- 271.92453 173.7
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