CID 141681

2,2,2-trifluoroethyl formate

Structural Information

Molecular Formula

C₃H₃F₃O₂

SMILES

C(C(F)(F)F)OC=O

InChI

InChI=1S/C3H3F3O2/c4-3(5,6)1-8-2-7/h2H,1H2

InChIKey

CAFROQYMUICGNO-UHFFFAOYSA-N

Compound name

2,2,2-trifluoroethyl formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2223
Patents: 128.00851 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]+	129.015786	116.5
[M+Na]+	150.997728	125.9
[M-H]-	127.001234	113.5
[M+NH4]+	146.042333	138.7
[M+K]+	166.971668	126.0
[M+H-H2O]+	111.005770	110.4
[M+HCOO]-	173.006711	137.3
[M+CH3COO]-	187.022361	169.1
[M+Na-2H]-	148.983176	124.3
[M]+	128.00796142	114.6
[M]-	128.00905858	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe