CID 3041083

1-(4-chloromethyl-1,3-dioxolan-2-yl)-2-propanone

Structural Information

Molecular Formula
C7H11ClO3
SMILES
CC(=O)CC1OCC(O1)CCl
InChI
InChI=1S/C7H11ClO3/c1-5(9)2-7-10-4-6(3-8)11-7/h6-7H,2-4H2,1H3
InChIKey
UTSVYFOQXVPABD-UHFFFAOYSA-N
Compound name
1-[4-(chloromethyl)-1,3-dioxolan-2-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03967 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.046946 136.5
[M+Na]+ 201.028888 144.2
[M-H]- 177.032394 141.0
[M+NH4]+ 196.073493 156.5
[M+K]+ 217.002828 144.4
[M+H-H2O]+ 161.036930 132.6
[M+HCOO]- 223.037871 152.7
[M+CH3COO]- 237.053521 177.3
[M+Na-2H]- 199.014336 141.0
[M]+ 178.03912142 139.8
[M]- 178.04021858 139.8
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.