CID 74877

2',6'-dichloroacetophenone

Structural Information

Molecular Formula
C8H6Cl2O
SMILES
CC(=O)C1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C8H6Cl2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey
HYBDSXBLGCQKRE-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

431
Patents

187.97957 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.986846 131.3
[M+Na]+ 210.968788 142.3
[M-H]- 186.972294 135.0
[M+NH4]+ 206.013393 152.8
[M+K]+ 226.942728 137.5
[M+H-H2O]+ 170.976830 128.2
[M+HCOO]- 232.977771 146.1
[M+CH3COO]- 246.993421 181.3
[M+Na-2H]- 208.954236 136.5
[M]+ 187.97902142 134.8
[M]- 187.98011858 134.8
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