CID 12738130

1526-49-4

Structural Information

Molecular Formula

C₆H₅F₇O₂

SMILES

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

InChI

InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,5(8,9)10)6(11,12)13/h2H2,1H3

InChIKey

UXPOTXZXGAMKLV-UHFFFAOYSA-N

Compound name

ethyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 242.01778 Da
Monoisotopic Mass: 2.8
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]+	243.02506	173.1
[M+Na]+	265.00700	175.2
[M+NH4]+	260.05160	173.5
[M+K]+	280.98094	172.5
[M-H]-	241.01050	163.8
[M+Na-2H]-	262.99245	170.4
[M]+	242.01723	170.3
[M]-	242.01833	170.3

Literature stripe

literature stripe

Patent stripe

patents stripe