CID 53413232

756-92-3

Structural Information

Molecular Formula

C₁₀H₁₄F₇I

SMILES

CCCCCC(CC(C(F)(F)F)(C(F)(F)F)F)I

InChI

InChI=1S/C10H14F7I/c1-2-3-4-5-7(18)6-8(11,9(12,13)14)10(15,16)17/h7H,2-6H2,1H3

InChIKey

GSQPSJXGCXEMDW-UHFFFAOYSA-N

Compound name

1,1,1,2-tetrafluoro-4-iodo-2-(trifluoromethyl)nonane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 394.00284 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]+	395.010116	166.6
[M+Na]+	416.992058	166.8
[M-H]-	392.995564	151.9
[M+NH4]+	412.036663	177.7
[M+K]+	432.965998	169.7
[M+H-H2O]+	377.000100	153.4
[M+HCOO]-	439.001041	171.6
[M+CH3COO]-	453.016691	210.0
[M+Na-2H]-	414.977506	156.4
[M]+	394.00229142	155.9
[M]-	394.00338858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe