CID 2774912

1-propenylperfluoropropane

Structural Information

Molecular Formula

C₆H₅F₇

SMILES

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

InChI

InChI=1S/C6H5F7/c1-2-3-4(7,8)5(9,10)6(11,12)13/h2-3H,1H3

InChIKey

HVOUHYGSLBPLGT-UHFFFAOYSA-N

Compound name

4,4,5,5,6,6,6-heptafluorohex-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 478
Patents: 210.02795 Da
Monoisotopic Mass: 3.5
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]+	211.03523	135.1
[M+Na]+	233.01717	144.3
[M-H]-	209.02067	127.1
[M+NH4]+	228.06177	153.7
[M+K]+	248.99111	141.9
[M+H-H2O]+	193.02521	126.1
[M+HCOO]-	255.02615	146.9
[M+CH3COO]-	269.04180	186.6
[M+Na-2H]-	231.00262	140.2
[M]+	210.02740	124.6
[M]-	210.02850	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe