CID 44480566

1193009-96-9

Structural Information

Molecular Formula

C₁₁H₁₅F₉O

SMILES

CCCCCOCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C11H15F9O/c1-2-3-4-6-21-7-5-8(12,13)9(14,15)10(16,17)11(18,19)20/h2-7H2,1H3

InChIKey

YPQSKOKWTZYTCR-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4-nonafluoro-6-pentoxyhexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 334.09793 Da
Monoisotopic Mass: 5.4
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]+	335.10521	169.3
[M+Na]+	357.08715	176.6
[M-H]-	333.09065	158.2
[M+NH4]+	352.13175	182.7
[M+K]+	373.06109	173.6
[M+H-H2O]+	317.09519	157.7
[M+HCOO]-	379.09613	175.8
[M+CH3COO]-	393.11178	211.2
[M+Na-2H]-	355.07260	171.5
[M]+	334.09738	159.2
[M]-	334.09848	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe