CID 23155340

2,2,3,3,3-pentafluoropropyl trifluoroacetate

Structural Information

Molecular Formula

C₅H₂F₈O₂

SMILES

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

InChI

InChI=1S/C5H2F8O2/c6-3(7,5(11,12)13)1-15-2(14)4(8,9)10/h1H2

InChIKey

XTPNAUXIOWWIJY-UHFFFAOYSA-N

Compound name

2,2,3,3,3-pentafluoropropyl 2,2,2-trifluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 245.9927 Da
Monoisotopic Mass: 3.0
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]+	246.99998	139.0
[M+Na]+	268.98192	148.5
[M-H]-	244.98542	129.9
[M+NH4]+	264.02652	156.0
[M+K]+	284.95586	147.3
[M+H-H2O]+	228.98996	129.0
[M+HCOO]-	290.99090	149.6
[M+CH3COO]-	305.00655	190.5
[M+Na-2H]-	266.96737	143.1
[M]+	245.99215	128.8
[M]-	245.99325	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe