CID 55303509

3-(2-chloroethyl)dihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C6H9ClO2
SMILES
C1COC(=O)C1CCCl
InChI
InChI=1S/C6H9ClO2/c7-3-1-5-2-4-9-6(5)8/h5H,1-4H2
InChIKey
YAYLJLGLWBUTSX-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.02911 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.036386 128.1
[M+Na]+ 171.018328 136.6
[M-H]- 147.021834 132.0
[M+NH4]+ 166.062933 150.7
[M+K]+ 186.992268 135.2
[M+H-H2O]+ 131.026370 124.3
[M+HCOO]- 193.027311 146.4
[M+CH3COO]- 207.042961 171.2
[M+Na-2H]- 169.003776 133.4
[M]+ 148.02856142 129.6
[M]- 148.02965858 129.6
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.