CID 550456

79272-26-7

Structural Information

Molecular Formula

C₈H₃F₁₃

SMILES

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

InChI

InChI=1S/C8H3F13/c1-2-3(6(13,14)15,7(16,17)18)4(9,10)5(11,12)8(19,20)21/h2H,1H2

InChIKey

RUVAVKKRUIZRRS-UHFFFAOYSA-N

Compound name

4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 346.00272 Da
Monoisotopic Mass: 5.8
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]+	347.01000	178.4
[M+Na]+	368.99194	178.6
[M+NH4]+	364.03654	177.7
[M+K]+	384.96588	177.2
[M-H]-	344.99544	174.0
[M+Na-2H]-	366.97739	176.7
[M]+	346.00217	177.0
[M]-	346.00327	177.0

Literature stripe

literature stripe

Patent stripe

patents stripe