CID 222073

5-(chloromethyl)dihydro-2(3h)-furanone

Structural Information

Molecular Formula
C5H7ClO2
SMILES
C1CC(=O)OC1CCl
InChI
InChI=1S/C5H7ClO2/c6-3-4-1-2-5(7)8-4/h4H,1-3H2
InChIKey
HPLJEKXDAFHJPD-UHFFFAOYSA-N
Compound name
5-(chloromethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

134.01346 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.02074 123.3
[M+Na]+ 157.00268 132.2
[M-H]- 133.00618 127.4
[M+NH4]+ 152.04728 146.5
[M+K]+ 172.97662 131.1
[M+H-H2O]+ 117.01072 119.7
[M+HCOO]- 179.01166 142.0
[M+CH3COO]- 193.02731 168.2
[M+Na-2H]- 154.98813 129.2
[M]+ 134.01291 124.4
[M]- 134.01401 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe