CID 119362

125973-99-1

Structural Information

Molecular Formula
C5H5ClO2
SMILES
C1C(=CC(=O)O1)CCl
InChI
InChI=1S/C5H5ClO2/c6-2-4-1-5(7)8-3-4/h1H,2-3H2
InChIKey
CTCZZJWSQSZQPN-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.9978 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.00508 121.1
[M+Na]+ 154.98702 131.0
[M-H]- 130.99052 125.5
[M+NH4]+ 150.03162 144.4
[M+K]+ 170.96096 129.8
[M+H-H2O]+ 114.99506 117.5
[M+HCOO]- 176.99600 141.2
[M+CH3COO]- 191.01165 167.8
[M+Na-2H]- 152.97247 128.0
[M]+ 131.99725 123.6
[M]- 131.99835 123.6
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

No patent data available for this compound.