CID 13486899

3-bromophenylacetyl chloride

Structural Information

Molecular Formula
C8H6BrClO
SMILES
C1=CC(=CC(=C1)Br)CC(=O)Cl
InChI
InChI=1S/C8H6BrClO/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2
InChIKey
DFKQZCVLSJIRES-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

184
Patents

231.92906 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.93634 136.7
[M+Na]+ 254.91828 141.6
[M+NH4]+ 249.96288 142.5
[M+K]+ 270.89222 140.6
[M-H]- 230.92178 137.7
[M+Na-2H]- 252.90373 141.3
[M]+ 231.92851 136.8
[M]- 231.92961 136.8
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