CID 12871962

65440-93-9

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

2
Annotation Hits: 0
References: 150
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	176.8
[M+Na]+	419.00759	186.1
[M-H]-	395.01109	165.6
[M+NH4]+	414.05219	186.9
[M+K]+	434.98153	181.2
[M+H-H2O]+	379.01563	161.9
[M+HCOO]-	441.01657	177.1
[M+CH3COO]-	455.03222	220.4
[M+Na-2H]-	416.99304	180.4
[M]+	396.01782	156.7
[M]-	396.01892	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe