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
1
Annotation Hits

0
References

404
Patents

187.97957 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.98685 132.7
[M+Na]+ 210.96879 148.2
[M+NH4]+ 206.01339 142.5
[M+K]+ 226.94273 140.5
[M-H]- 186.97229 135.2
[M+Na-2H]- 208.95424 140.6
[M]+ 187.97902 136.3
[M]- 187.98012 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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