CID 99029

Oxazolidine, 2-(trichloromethyl)-

Structural Information

Molecular Formula

C₄H₆Cl₃NO

SMILES

C1COC(N1)C(Cl)(Cl)Cl

InChI

InChI=1S/C4H6Cl3NO/c5-4(6,7)3-8-1-2-9-3/h3,8H,1-2H2

InChIKey

YFZMDNJBQWEQRG-UHFFFAOYSA-N

Compound name

2-(trichloromethyl)-1,3-oxazolidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 30
Patents: 188.95149 Da
Monoisotopic Mass: 1.4
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]+	189.958766	136.9
[M+Na]+	211.940708	144.8
[M-H]-	187.944214	136.1
[M+NH4]+	206.985313	155.6
[M+K]+	227.914648	141.1
[M+H-H2O]+	171.948750	133.1
[M+HCOO]-	233.949691	140.1
[M+CH3COO]-	247.965341	173.6
[M+Na-2H]-	209.926156	141.4
[M]+	188.95094142	134.8
[M]-	188.95203858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe