CID 20544459

2-oxo-3-oxazolidinecarbonyl chloride

Structural Information

Molecular Formula

C₄H₄ClNO₃

SMILES

C1COC(=O)N1C(=O)Cl

InChI

InChI=1S/C4H4ClNO3/c5-3(7)6-1-2-9-4(6)8/h1-2H2

InChIKey

OZJANYSOGASXNQ-UHFFFAOYSA-N

Compound name

2-oxo-1,3-oxazolidine-3-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 148.98798 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	149.99526	124.2
[M+Na]+	171.97720	133.5
[M-H]-	147.98070	127.2
[M+NH4]+	167.02180	145.3
[M+K]+	187.95114	133.1
[M+H-H2O]+	131.98524	119.6
[M+HCOO]-	193.98618	141.4
[M+CH3COO]-	208.00183	169.2
[M+Na-2H]-	169.96265	129.3
[M]+	148.98743	125.5
[M]-	148.98853	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe