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]+ 149.036386 126.8
[M+Na]+ 171.018328 136.5
[M-H]- 147.021834 131.3
[M+NH4]+ 166.062933 144.0
[M+K]+ 186.992268 133.7
[M+H-H2O]+ 131.026370 122.0
[M+HCOO]- 193.027311 146.2
[M+CH3COO]- 207.042961 177.0
[M+Na-2H]- 169.003776 132.8
[M]+ 148.02856142 132.4
[M]- 148.02965858 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.