CID 101164

31167-90-5

Structural Information

Molecular Formula
C4H5ClO2
SMILES
C1COC(=O)C1Cl
InChI
InChI=1S/C4H5ClO2/c5-3-1-2-7-4(3)6/h3H,1-2H2
InChIKey
OARNHESMASZJCO-UHFFFAOYSA-N
Compound name
3-chlorooxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

119.99781 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.00509 118.5
[M+Na]+ 142.98703 127.8
[M-H]- 118.99053 122.8
[M+NH4]+ 138.03163 142.2
[M+K]+ 158.96097 127.0
[M+H-H2O]+ 102.99507 115.1
[M+HCOO]- 164.99601 137.5
[M+CH3COO]- 179.01166 165.2
[M+Na-2H]- 140.97248 124.9
[M]+ 119.99726 119.2
[M]- 119.99836 119.2
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.