CID 14671033

Refchem:1096492

Structural Information

Molecular Formula

C₆H₇F₃O₂

SMILES

C=CC(=O)OCCC(F)(F)F

InChI

InChI=1S/C6H7F3O2/c1-2-5(10)11-4-3-6(7,8)9/h2H,1,3-4H2

InChIKey

NWBWGFFZPIVONT-UHFFFAOYSA-N

Compound name

3,3,3-trifluoropropyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 459
Patents: 168.03981 Da
Monoisotopic Mass: 2.6
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]+	169.047086	129.3
[M+Na]+	191.029028	137.6
[M-H]-	167.032534	125.9
[M+NH4]+	186.073633	149.9
[M+K]+	207.002968	136.7
[M+H-H2O]+	151.037070	122.7
[M+HCOO]-	213.038011	148.4
[M+CH3COO]-	227.053661	177.4
[M+Na-2H]-	189.014476	134.2
[M]+	168.03926142	127.1
[M]-	168.04035858	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe