CID 165598631

1-chloro-3-cyclopropoxypropan-2-one

Structural Information

Molecular Formula
C6H9ClO2
SMILES
C1CC1OCC(=O)CCl
InChI
InChI=1S/C6H9ClO2/c7-3-5(8)4-9-6-1-2-6/h6H,1-4H2
InChIKey
DBGLGXWQFFNYMJ-UHFFFAOYSA-N
Compound name
1-chloro-3-cyclopropyloxypropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.02911 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03639 126.8
[M+Na]+ 171.01833 136.5
[M-H]- 147.02183 131.3
[M+NH4]+ 166.06293 144.0
[M+K]+ 186.99227 133.7
[M+H-H2O]+ 131.02637 122.0
[M+HCOO]- 193.02731 146.2
[M+CH3COO]- 207.04296 177.0
[M+Na-2H]- 169.00378 132.8
[M]+ 148.02856 132.4
[M]- 148.02966 132.4
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.