CID 54594902

3-[4-(2-chloroacetyl)phenyl]-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
C1COC(=O)N1C2=CC=C(C=C2)C(=O)CCl
InChI
InChI=1S/C11H10ClNO3/c12-7-10(14)8-1-3-9(4-2-8)13-5-6-16-11(13)15/h1-4H,5-7H2
InChIKey
RIQYCDDPSBRTLO-UHFFFAOYSA-N
Compound name
3-[4-(2-chloroacetyl)phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03493 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.042206 149.5
[M+Na]+ 262.024148 158.1
[M-H]- 238.027654 155.5
[M+NH4]+ 257.068753 166.9
[M+K]+ 277.998088 155.4
[M+H-H2O]+ 222.032190 143.1
[M+HCOO]- 284.033131 165.9
[M+CH3COO]- 298.048781 187.6
[M+Na-2H]- 260.009596 152.3
[M]+ 239.03438142 151.6
[M]- 239.03547858 151.6
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

No patent data available for this compound.