CID 197559

147492-59-9

Structural Information

Molecular Formula

C₁₆H₂₁F₁₃

SMILES

CCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H21F13/c1-2-3-4-5-6-7-8-9-10-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-10H2,1H3

InChIKey

FEBCMJRMESQQMH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 149
Patents: 460.14355 Da
Monoisotopic Mass: 9.7
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]+	461.150826	200.9
[M+Na]+	483.132768	183.9
[M-H]-	459.136274	176.5
[M+NH4]+	478.177373	182.9
[M+K]+	499.106708	202.3
[M+H-H2O]+	443.140810	186.2
[M+HCOO]-	505.141751	196.4
[M+CH3COO]-	519.157401	235.5
[M+Na-2H]-	481.118216	200.2
[M]+	460.14300142	176.7
[M]-	460.14409858	176.7

Literature stripe

literature stripe

Patent stripe

patents stripe