CID 152842

68641-49-6

Structural Information

Molecular Formula

C₆H₈ClN₂O₅P

SMILES

C1COC(=O)N1P(=O)(N2CCOC2=O)Cl

InChI

InChI=1S/C6H8ClN2O5P/c7-15(12,8-1-3-13-5(8)10)9-2-4-14-6(9)11/h1-4H2

InChIKey

KLDLRDSRCMJKGM-UHFFFAOYSA-N

Compound name

3-[chloro-(2-oxo-1,3-oxazolidin-3-yl)phosphoryl]-1,3-oxazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 17487
Patents: 253.98593 Da
Monoisotopic Mass: -0.1
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]+	254.993206	148.6
[M+Na]+	276.975148	156.5
[M-H]-	252.978654	152.7
[M+NH4]+	272.019753	164.5
[M+K]+	292.949088	157.2
[M+H-H2O]+	236.983190	141.0
[M+HCOO]-	298.984131	166.9
[M+CH3COO]-	312.999781	186.7
[M+Na-2H]-	274.960596	149.3
[M]+	253.98538142	150.7
[M]-	253.98647858	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe