CID 280194

4,4-bis(chloromethyl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C5H7Cl2NO2
SMILES
C1C(NC(=O)O1)(CCl)CCl
InChI
InChI=1S/C5H7Cl2NO2/c6-1-5(2-7)3-10-4(9)8-5/h1-3H2,(H,8,9)
InChIKey
VILFZVBRHIGYFT-UHFFFAOYSA-N
Compound name
4,4-bis(chloromethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

182.98538 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99266 131.9
[M+Na]+ 205.97460 141.3
[M-H]- 181.97810 132.7
[M+NH4]+ 201.01920 153.3
[M+K]+ 221.94854 138.0
[M+H-H2O]+ 165.98264 128.6
[M+HCOO]- 227.98358 142.6
[M+CH3COO]- 241.99923 172.7
[M+Na-2H]- 203.96005 137.5
[M]+ 182.98483 132.5
[M]- 182.98593 132.5
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