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]+ 179.04695 136.5
[M+Na]+ 201.02889 144.2
[M-H]- 177.03239 141.0
[M+NH4]+ 196.07349 156.5
[M+K]+ 217.00283 144.4
[M+H-H2O]+ 161.03693 132.6
[M+HCOO]- 223.03787 152.7
[M+CH3COO]- 237.05352 177.3
[M+Na-2H]- 199.01434 141.0
[M]+ 178.03912 139.8
[M]- 178.04022 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.