CID 13299942

4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl iodide

Structural Information

Molecular Formula

C₉H₆F₁₃I

SMILES

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

InChI

InChI=1S/C9H6F13I/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-3H2

InChIKey

DBWLHXGWJWZTDX-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9-iodononane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 19
Patents: 487.93066 Da
Monoisotopic Mass: 6.7
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]+	488.93794	177.8
[M+Na]+	510.91988	180.2
[M-H]-	486.92338	158.6
[M+NH4]+	505.96448	184.7
[M+K]+	526.89382	181.9
[M+H-H2O]+	470.92792	161.6
[M+HCOO]-	532.92886	174.2
[M+CH3COO]-	546.94451	225.0
[M+Na-2H]-	508.90533	169.6
[M]+	487.93011	157.3
[M]-	487.93121	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe