CID 13486899

98288-51-8

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

190
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 136.6
[M+Na]+ 254.91828 149.6
[M-H]- 230.92178 143.2
[M+NH4]+ 249.96288 159.3
[M+K]+ 270.89222 137.2
[M+H-H2O]+ 214.92632 138.2
[M+HCOO]- 276.92726 154.1
[M+CH3COO]- 290.94291 185.7
[M+Na-2H]- 252.90373 144.3
[M]+ 231.92851 157.1
[M]- 231.92961 157.1
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