CID 2782436

297730-93-9

Structural Information

Molecular Formula

C₉H₅F₁₅O

SMILES

CCOC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(C(F)(F)F)(F)F)(F)F)F

InChI

InChI=1S/C9H5F15O/c1-2-25-6(15,3(10,7(16,17)18)8(19,20)21)4(11,12)5(13,14)9(22,23)24/h2H2,1H3

InChIKey

HHBBIOLEJRWIGU-UHFFFAOYSA-N

Compound name

4-ethoxy-1,1,1,2,2,3,3,4,5,6,6,6-dodecafluoro-5-(trifluoromethyl)hexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1591
Patents: 414.0101 Da
Monoisotopic Mass: 5.7
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]+	415.01738	169.7
[M+Na]+	436.99932	169.8
[M+NH4]+	432.04392	169.2
[M+K]+	452.97326	169.4
[M-H]-	413.00282	167.0
[M+Na-2H]-	434.98477	169.1
[M]+	414.00955	168.9
[M]-	414.01065	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe