CID 74114

3,3-dichlorooxolan-2-one

Structural Information

Molecular Formula
C4H4Cl2O2
SMILES
C1COC(=O)C1(Cl)Cl
InChI
InChI=1S/C4H4Cl2O2/c5-4(6)1-2-8-3(4)7/h1-2H2
InChIKey
IWXYAXGKGAHXPV-UHFFFAOYSA-N
Compound name
3,3-dichlorooxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

153.95883 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.966106 123.4
[M+Na]+ 176.948048 133.7
[M-H]- 152.951554 127.3
[M+NH4]+ 171.992653 147.9
[M+K]+ 192.921988 131.4
[M+H-H2O]+ 136.956090 121.4
[M+HCOO]- 198.957031 137.2
[M+CH3COO]- 212.972681 169.8
[M+Na-2H]- 174.933496 130.2
[M]+ 153.95828142 125.1
[M]- 153.95937858 125.1
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