CID 98075

4-chloro-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C3H3ClO3
SMILES
C1C(OC(=O)O1)Cl
InChI
InChI=1S/C3H3ClO3/c4-2-1-6-3(5)7-2/h2H,1H2
InChIKey
OYOKPDLAMOMTEE-UHFFFAOYSA-N
Compound name
4-chloro-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12004
Patents

121.97707 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.98435 116.7
[M+Na]+ 144.96629 126.3
[M-H]- 120.96979 121.7
[M+NH4]+ 140.01089 139.0
[M+K]+ 160.94023 127.1
[M+H-H2O]+ 104.97433 113.5
[M+HCOO]- 166.97527 135.2
[M+CH3COO]- 180.99092 164.3
[M+Na-2H]- 142.95174 124.7
[M]+ 121.97652 119.1
[M]- 121.97762 119.1
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