CID 22002821

1,1,1,2,2,3,3,4,4-nonafluorodecane

Structural Information

Molecular Formula

C₁₀H₁₃F₉

SMILES

CCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H13F9/c1-2-3-4-5-6-7(11,12)8(13,14)9(15,16)10(17,18)19/h2-6H2,1H3

InChIKey

YGGBKWYCPRYWRI-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4-nonafluorodecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 142
Patents: 304.08734 Da
Monoisotopic Mass: 6.2
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]+	305.09462	161.3
[M+Na]+	327.07656	169.1
[M-H]-	303.08006	150.4
[M+NH4]+	322.12116	175.9
[M+K]+	343.05050	165.9
[M+H-H2O]+	287.08460	150.0
[M+HCOO]-	349.08554	167.9
[M+CH3COO]-	363.10119	206.6
[M+Na-2H]-	325.06201	163.9
[M]+	304.08679	149.4
[M]-	304.08789	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe