CID 5325909

93239-42-0

Structural Information

Molecular Formula

C₅H₅Cl₃O₂

SMILES

C[C@@]1(CC(=O)O1)C(Cl)(Cl)Cl

InChI

InChI=1S/C5H5Cl3O2/c1-4(5(6,7)8)2-3(9)10-4/h2H2,1H3/t4-/m1/s1

InChIKey

MIYJBPXTAZJPGX-SCSAIBSYSA-N

Compound name

(4R)-4-methyl-4-(trichloromethyl)oxetan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 201.93552 Da
Monoisotopic Mass: 1.9
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]+	202.94280	122.4
[M+Na]+	224.92474	132.2
[M-H]-	200.92824	125.5
[M+NH4]+	219.96934	137.7
[M+K]+	240.89868	131.6
[M+H-H2O]+	184.93278	117.7
[M+HCOO]-	246.93372	128.9
[M+CH3COO]-	260.94937	183.4
[M+Na-2H]-	222.91019	130.7
[M]+	201.93497	133.9
[M]-	201.93607	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe