CID 11139943

Tert-butyl 3-(trichloromethyl)oxaziridine-2-carboxylate

Structural Information

Molecular Formula

C₇H₁₀Cl₃NO₃

SMILES

CC(C)(C)OC(=O)N1C(O1)C(Cl)(Cl)Cl

InChI

InChI=1S/C7H10Cl3NO3/c1-6(2,3)13-5(12)11-4(14-11)7(8,9)10/h4H,1-3H3

InChIKey

RKQBULMPIKTIOE-UHFFFAOYSA-N

Compound name

tert-butyl 3-(trichloromethyl)oxaziridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 260.97263 Da
Monoisotopic Mass: 2.9
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]+	261.97991	147.8
[M+Na]+	283.96185	158.0
[M-H]-	259.96535	150.3
[M+NH4]+	279.00645	159.1
[M+K]+	299.93579	154.9
[M+H-H2O]+	243.96989	143.7
[M+HCOO]-	305.97083	151.5
[M+CH3COO]-	319.98648	193.2
[M+Na-2H]-	281.94730	153.0
[M]+	260.97208	155.3
[M]-	260.97318	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe