CID 22436579

1661005-79-3

Structural Information

Molecular Formula

C₆H₃F₁₁O

SMILES

C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(F)F

InChI

InChI=1S/C6H3F11O/c7-2(8)18-1-3(9,10)4(11,12)5(13,14)6(15,16)17/h2H,1H2

InChIKey

MWYPGZOEGJJCBI-UHFFFAOYSA-N

Compound name

5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 11
Patents: 300.00082 Da
Monoisotopic Mass: 4.2
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]+	301.00810	151.2
[M+Na]+	322.99004	160.4
[M-H]-	298.99354	138.7
[M+NH4]+	318.03464	165.4
[M+K]+	338.96398	158.3
[M+H-H2O]+	282.99808	138.8
[M+HCOO]-	344.99902	156.3
[M+CH3COO]-	359.01467	203.5
[M+Na-2H]-	320.97549	153.7
[M]+	300.00027	135.7
[M]-	300.00137	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe