CID 12871962

(perfluorohexyl)benzene

Structural Information

Molecular Formula

C₁₂H₅F₁₃

SMILES

C1=CC=C(C=C1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C12H5F13/c13-7(14,6-4-2-1-3-5-6)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1-5H

InChIKey

CDMCLELUDINUDU-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 121
Patents: 396.01837 Da
Monoisotopic Mass: 6.2
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]+	397.02565	176.4
[M+Na]+	419.00759	176.7
[M+NH4]+	414.05219	175.7
[M+K]+	434.98153	175.5
[M-H]-	395.01109	172.3
[M+Na-2H]-	416.99304	175.3
[M]+	396.01782	175.1
[M]-	396.01892	175.1

Literature stripe

literature stripe

Patent stripe

patents stripe