CID 75096

2160-89-6

Structural Information

Molecular Formula

C₆H₄F₆O₂

SMILES

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

InChI

InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2

InChIKey

MNSWITGNWZSAMC-UHFFFAOYSA-N

Compound name

1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 2806
Patents: 222.01155 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]+	223.01883	164.3
[M+Na]+	245.00077	167.2
[M+NH4]+	240.04537	165.3
[M+K]+	260.97471	164.4
[M-H]-	221.00427	155.1
[M+Na-2H]-	242.98622	162.0
[M]+	222.01100	161.5
[M]-	222.01210	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe