CID 21263423

156783-96-9

Structural Information

Molecular Formula

C₅H₇F₃O₃

SMILES

CCOC(=O)OCC(F)(F)F

InChI

InChI=1S/C5H7F3O3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3

InChIKey

NIQAXIMIQJNOKY-UHFFFAOYSA-N

Compound name

ethyl 2,2,2-trifluoroethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1756
Patents: 172.03473 Da
Monoisotopic Mass: 2.0
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]+	173.042006	129.3
[M+Na]+	195.023948	137.7
[M-H]-	171.027454	126.0
[M+NH4]+	190.068553	149.8
[M+K]+	210.997888	138.2
[M+H-H2O]+	155.031990	122.6
[M+HCOO]-	217.032931	148.7
[M+CH3COO]-	231.048581	176.6
[M+Na-2H]-	193.009396	134.7
[M]+	172.03418142	128.8
[M]-	172.03527858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe