CID 90815

22625-57-6

Structural Information

Molecular Formula
C4H6ClNO2
SMILES
C1C(OC(=O)N1)CCl
InChI
InChI=1S/C4H6ClNO2/c5-1-3-2-6-4(7)8-3/h3H,1-2H2,(H,6,7)
InChIKey
FNOZCEQRXKPZEZ-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

563
Patents

135.00871 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.01599 123.4
[M+Na]+ 157.99793 132.2
[M-H]- 134.00143 124.7
[M+NH4]+ 153.04253 144.4
[M+K]+ 173.97187 130.5
[M+H-H2O]+ 118.00597 118.9
[M+HCOO]- 180.00691 139.5
[M+CH3COO]- 194.02256 165.1
[M+Na-2H]- 155.98338 129.0
[M]+ 135.00816 122.6
[M]- 135.00926 122.6
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

patents stripe