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]+ 240.04221 149.5
[M+Na]+ 262.02415 158.1
[M-H]- 238.02765 155.5
[M+NH4]+ 257.06875 166.9
[M+K]+ 277.99809 155.4
[M+H-H2O]+ 222.03219 143.1
[M+HCOO]- 284.03313 165.9
[M+CH3COO]- 298.04878 187.6
[M+Na-2H]- 260.00960 152.3
[M]+ 239.03438 151.6
[M]- 239.03548 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.