CID 2756885

2-bromo-5'-chloro-2'-hydroxyacetophenone

Structural Information

Molecular Formula
C8H6BrClO2
SMILES
C1=CC(=C(C=C1Cl)C(=O)CBr)O
InChI
InChI=1S/C8H6BrClO2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2
InChIKey
XZTLAMYFEVPMLG-UHFFFAOYSA-N
Compound name
2-bromo-1-(5-chloro-2-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

247.92397 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.931246 139.3
[M+Na]+ 270.913188 152.6
[M-H]- 246.916694 144.9
[M+NH4]+ 265.957793 160.8
[M+K]+ 286.887128 139.7
[M+H-H2O]+ 230.921230 141.0
[M+HCOO]- 292.922171 155.6
[M+CH3COO]- 306.937821 186.1
[M+Na-2H]- 268.898636 145.8
[M]+ 247.92342142 159.7
[M]- 247.92451858 159.7
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