CID 19091137

1,1,1,2,2,3,3,4,4-nonafluoroheptane

Structural Information

Molecular Formula

C₇H₇F₉

SMILES

CCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C7H7F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3

InChIKey

MDZDBKLCYXUTQA-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4-nonafluoroheptane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 209
Patents: 262.0404 Da
Monoisotopic Mass: 4.6
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]+	263.04768	147.1
[M+Na]+	285.02962	156.0
[M-H]-	261.03312	136.8
[M+NH4]+	280.07422	163.3
[M+K]+	301.00356	153.6
[M+H-H2O]+	245.03766	136.4
[M+HCOO]-	307.03860	154.6
[M+CH3COO]-	321.05425	197.9
[M+Na-2H]-	283.01507	151.3
[M]+	262.03985	134.1
[M]-	262.04095	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe