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

5
Patents

162.04475 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05203 134.0
[M+Na]+ 185.03397 140.8
[M-H]- 161.03747 137.5
[M+NH4]+ 180.07857 155.6
[M+K]+ 201.00791 139.6
[M+H-H2O]+ 145.04201 129.7
[M+HCOO]- 207.04295 151.0
[M+CH3COO]- 221.05860 173.9
[M+Na-2H]- 183.01942 138.1
[M]+ 162.04420 134.8
[M]- 162.04530 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