CID 11830733

5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C1C(OC(=O)N1C2=CC=CC=C2)CCl
InChI
InChI=1S/C10H10ClNO2/c11-6-9-7-12(10(13)14-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
KARLWXPEKSFFJC-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

211.04001 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.047286 143.1
[M+Na]+ 234.029228 152.3
[M-H]- 210.032734 149.0
[M+NH4]+ 229.073833 161.9
[M+K]+ 250.003168 149.3
[M+H-H2O]+ 194.037270 136.8
[M+HCOO]- 256.038211 160.4
[M+CH3COO]- 270.053861 182.5
[M+Na-2H]- 232.014676 147.5
[M]+ 211.03946142 144.7
[M]- 211.04055858 144.7
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