CID 3077865

135798-17-3

Structural Information

Molecular Formula

C₁₀H₅F₁₆I

SMILES

C(CI)C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H5F16I/c11-3(12)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)1-2-27/h3H,1-2H2

InChIKey

YPSIIUVSKRQRFE-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-10-iododecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 555.918 Da
Monoisotopic Mass: 7.2
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]+	556.925276	189.2
[M+Na]+	578.907218	204.7
[M-H]-	554.910724	201.5
[M+NH4]+	573.951823	205.9
[M+K]+	594.881158	193.1
[M+H-H2O]+	538.915260	171.7
[M+HCOO]-	600.916201	214.6
[M+CH3COO]-	614.931851	236.6
[M+Na-2H]-	576.892666	179.8
[M]+	555.91745142	194.4
[M]-	555.91854858	194.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe