CID 130989472

1-chloro-3-(oxolan-3-yl)propan-2-one

Structural Information

Molecular Formula
C7H11ClO2
SMILES
C1COCC1CC(=O)CCl
InChI
InChI=1S/C7H11ClO2/c8-4-7(9)3-6-1-2-10-5-6/h6H,1-5H2
InChIKey
JGXFHNULQLQNDA-UHFFFAOYSA-N
Compound name
1-chloro-3-(oxolan-3-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

162.04475 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.052026 134.0
[M+Na]+ 185.033968 140.8
[M-H]- 161.037474 137.5
[M+NH4]+ 180.078573 155.6
[M+K]+ 201.007908 139.6
[M+H-H2O]+ 145.042010 129.7
[M+HCOO]- 207.042951 151.0
[M+CH3COO]- 221.058601 173.9
[M+Na-2H]- 183.019416 138.1
[M]+ 162.04420142 134.8
[M]- 162.04529858 134.8
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

patents stripe