CID 70081

1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(trifluoromethyl)pentane

Structural Information

Molecular Formula

C₆F₁₄

SMILES

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

InChI

InChI=1S/C6F14/c7-1(4(12,13)14,2(8,9)5(15,16)17)3(10,11)6(18,19)20

InChIKey

GXSFAIDPYIEIEF-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,4,4,5,5,5-undecafluoro-3-(trifluoromethyl)pentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 337.97763 Da
Monoisotopic Mass: 5.1
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]+	338.98491	172.2
[M+Na]+	360.96685	172.3
[M+NH4]+	356.01145	171.6
[M+K]+	376.94079	171.5
[M-H]-	336.97035	168.7
[M+Na-2H]-	358.95230	171.2
[M]+	337.97708	171.1
[M]-	337.97818	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe