CID 13681324

Perfluoro(3-ethyl-2,3-dimethylpentane)

Structural Information

Molecular Formula

C₉F₂₀

SMILES

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

InChI

InChI=1S/C9F20/c10-2(6(18,19)20,7(21,22)23)1(5(15,16)17,3(11,12)8(24,25)26)4(13,14)9(27,28)29

InChIKey

NNZABWQPYXLJGH-UHFFFAOYSA-N

Compound name

1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)pentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 487.96805 Da
Monoisotopic Mass: 7.5
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]+	488.975326	162.7
[M+Na]+	510.957268	168.7
[M-H]-	486.960774	169.6
[M+NH4]+	506.001873	171.8
[M+K]+	526.931208	177.5
[M+H-H2O]+	470.965310	152.0
[M+HCOO]-	532.966251	183.8
[M+CH3COO]-	546.981901	234.7
[M+Na-2H]-	508.942716	164.1
[M]+	487.96750142	161.2
[M]-	487.96859858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe