CID 137942460

2287287-77-6

Structural Information

Molecular Formula

C₆H₆F₃NO₃

SMILES

C1C(=O)CN1C(=O)OCC(F)(F)F

InChI

InChI=1S/C6H6F3NO3/c7-6(8,9)3-13-5(12)10-1-4(11)2-10/h1-3H2

InChIKey

BULCNZAVJFXNRD-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl 3-oxoazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.02998 Da
Monoisotopic Mass: 0.9
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]+	198.03726	135.4
[M+Na]+	220.01920	142.5
[M-H]-	196.02270	133.9
[M+NH4]+	215.06380	146.9
[M+K]+	235.99314	145.0
[M+H-H2O]+	180.02724	122.5
[M+HCOO]-	242.02818	151.6
[M+CH3COO]-	256.04383	183.9
[M+Na-2H]-	218.00465	139.1
[M]+	197.02943	141.1
[M]-	197.03053	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.