CID 146155781

2-chloro-1-(2,2-dichlorocyclopropyl)ethan-1-one

Structural Information

Molecular Formula
C5H5Cl3O
SMILES
C1C(C1(Cl)Cl)C(=O)CCl
InChI
InChI=1S/C5H5Cl3O/c6-2-4(9)3-1-5(3,7)8/h3H,1-2H2
InChIKey
FYWQOSAISBLYFV-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,2-dichlorocyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.9406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.94788 125.6
[M+Na]+ 208.92982 136.5
[M-H]- 184.93332 128.6
[M+NH4]+ 203.97442 143.4
[M+K]+ 224.90376 132.2
[M+H-H2O]+ 168.93786 123.9
[M+HCOO]- 230.93880 134.5
[M+CH3COO]- 244.95445 183.2
[M+Na-2H]- 206.91527 130.9
[M]+ 185.94005 130.3
[M]- 185.94115 130.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.