CID 10587004

184714-56-5

Structural Information

Molecular Formula
C12H12ClNO3
SMILES
C1[C@H](N(C(=O)O1)C(=O)CCl)CC2=CC=CC=C2
InChI
InChI=1S/C12H12ClNO3/c13-7-11(15)14-10(8-17-12(14)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2/t10-/m1/s1
InChIKey
DVPUBLCBQBQPOU-SNVBAGLBSA-N
Compound name
(4R)-4-benzyl-3-(2-chloroacetyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

253.05057 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05785 154.5
[M+Na]+ 276.03979 162.7
[M-H]- 252.04329 160.3
[M+NH4]+ 271.08439 171.4
[M+K]+ 292.01373 159.8
[M+H-H2O]+ 236.04783 147.9
[M+HCOO]- 298.04877 170.6
[M+CH3COO]- 312.06442 189.9
[M+Na-2H]- 274.02524 156.7
[M]+ 253.05002 156.9
[M]- 253.05112 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe