CID 598182

Bromophenylacetyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

277
Patents

231.92906 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.936336 137.7
[M+Na]+ 254.918278 149.5
[M-H]- 230.921784 144.0
[M+NH4]+ 249.962883 159.9
[M+K]+ 270.892218 137.5
[M+H-H2O]+ 214.926320 139.1
[M+HCOO]- 276.927261 154.3
[M+CH3COO]- 290.942911 185.4
[M+Na-2H]- 252.903726 144.7
[M]+ 231.92851142 157.3
[M]- 231.92960858 157.3
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