CID 2774939

2728-75-8

Structural Information

Molecular Formula

C₉H₁₀F₇I

SMILES

C1CCC(C(C1)C(C(C(F)(F)F)(F)F)(F)F)I

InChI

InChI=1S/C9H10F7I/c10-7(11,8(12,13)9(14,15)16)5-3-1-2-4-6(5)17/h5-6H,1-4H2

InChIKey

OPDPCHBOZHWKOZ-UHFFFAOYSA-N

Compound name

1-(1,1,2,2,3,3,3-heptafluoropropyl)-2-iodocyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 377.97156 Da
Monoisotopic Mass: 5.7
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]+	378.97884	157.0
[M+Na]+	400.96078	156.9
[M-H]-	376.96428	144.8
[M+NH4]+	396.00538	168.3
[M+K]+	416.93472	159.6
[M+H-H2O]+	360.96882	143.5
[M+HCOO]-	422.96976	160.6
[M+CH3COO]-	436.98541	204.8
[M+Na-2H]-	398.94623	147.8
[M]+	377.97101	140.9
[M]-	377.97211	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe