CID 74435

Allylpentafluorobenzene

Structural Information

Molecular Formula

C₉H₅F₅

SMILES

C=CCC1=C(C(=C(C(=C1F)F)F)F)F

InChI

InChI=1S/C9H5F5/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,1,3H2

InChIKey

YBDBTBVNQQBHGJ-UHFFFAOYSA-N

Compound name

1,2,3,4,5-pentafluoro-6-prop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 468
Patents: 208.03114 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]+	209.03842	155.9
[M+Na]+	231.02036	164.4
[M+NH4]+	226.06496	160.0
[M+K]+	246.99430	158.1
[M-H]-	207.02386	151.6
[M+Na-2H]-	229.00581	157.7
[M]+	208.03059	155.6
[M]-	208.03169	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe