CID 91450

3,3,3-trifluoro-2-(trifluoromethyl)propene

Structural Information

Molecular Formula

C₄H₂F₆

SMILES

C=C(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C4H2F6/c1-2(3(5,6)7)4(8,9)10/h1H2

InChIKey

QMIWYOZFFSLIAK-UHFFFAOYSA-N

Compound name

3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 9486
Patents: 164.00607 Da
Monoisotopic Mass: 3.1
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]+	165.01335	122.5
[M+Na]+	186.99529	131.9
[M-H]-	162.99879	115.8
[M+NH4]+	182.03989	143.0
[M+K]+	202.96923	130.4
[M+H-H2O]+	147.00333	114.3
[M+HCOO]-	209.00427	136.7
[M+CH3COO]-	223.01992	177.8
[M+Na-2H]-	184.98074	127.3
[M]+	164.00552	112.6
[M]-	164.00662	112.6

Literature stripe

literature stripe

Patent stripe

patents stripe