CID 71343220

140225-78-1

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₃

SMILES

CC1(CON(C1=O)CC2=C(C=CC(=C2)O)Cl)C

InChI

InChI=1S/C12H14ClNO3/c1-12(2)7-17-14(11(12)16)6-8-5-9(15)3-4-10(8)13/h3-5,15H,6-7H2,1-2H3

InChIKey

WWPMUDRCXMUBOU-UHFFFAOYSA-N

Compound name

2-[(2-chloro-5-hydroxyphenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.06622 Da
Monoisotopic Mass: 2.2
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]+	256.073496	152.6
[M+Na]+	278.055438	163.2
[M-H]-	254.058944	158.1
[M+NH4]+	273.100043	171.6
[M+K]+	294.029378	159.7
[M+H-H2O]+	238.063480	147.6
[M+HCOO]-	300.064421	168.1
[M+CH3COO]-	314.080071	190.0
[M+Na-2H]-	276.040886	155.8
[M]+	255.06567142	155.7
[M]-	255.06676858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.