CID 12769945

1813-83-8

Structural Information

Molecular Formula

C₁₀H₈F₁₂I₂

SMILES

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

InChI

InChI=1S/C10H8F12I2/c11-5(12,1-3-23)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)2-4-24/h1-4H2

InChIKey

FPHLHLVYLCQBKG-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1,10-diiododecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 609.85236 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]+	610.859636	175.4
[M+Na]+	632.841578	170.4
[M-H]-	608.845084	155.2
[M+NH4]+	627.886183	248.6
[M+K]+	648.815518	177.7
[M+H-H2O]+	592.849620	159.2
[M+HCOO]-	654.850561	258.9
[M+CH3COO]-	668.866211	235.6
[M+Na-2H]-	630.827026	162.7
[M]+	609.85181142	157.9
[M]-	609.85290858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe