CID 2734103

1-(2,6-dichlorophenyl)propan-2-one

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
CC(=O)CC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c1-6(12)5-7-8(10)3-2-4-9(7)11/h2-4H,5H2,1H3
InChIKey
YAEXJQJVTXDTJM-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

201.99522 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.002496 136.1
[M+Na]+ 224.984438 146.6
[M-H]- 200.987944 139.6
[M+NH4]+ 220.029043 157.0
[M+K]+ 240.958378 141.6
[M+H-H2O]+ 184.992480 132.7
[M+HCOO]- 246.993421 150.5
[M+CH3COO]- 261.009071 184.2
[M+Na-2H]- 222.969886 140.7
[M]+ 201.99467142 139.9
[M]- 201.99576858 139.9
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