CID 9794

Ethyl trifluoroacetate

Structural Information

Molecular Formula

C₄H₅F₃O₂

SMILES

CCOC(=O)C(F)(F)F

InChI

InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChIKey

STSCVKRWJPWALQ-UHFFFAOYSA-N

Compound name

ethyl 2,2,2-trifluoroacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 16155
Patents: 142.02417 Da
Monoisotopic Mass: 1.2
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]+	143.03145	121.4
[M+Na]+	165.01339	130.2
[M-H]-	141.01689	118.4
[M+NH4]+	160.05799	143.1
[M+K]+	180.98733	130.5
[M+H-H2O]+	125.02143	115.2
[M+HCOO]-	187.02237	140.9
[M+CH3COO]-	201.03802	172.3
[M+Na-2H]-	162.99884	127.4
[M]+	142.02362	119.1
[M]-	142.02472	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe