CID 22338725

1,1,1,2,2,3,3,4,4,5-decafluoropentane

Structural Information

Molecular Formula

C₅H₂F₁₀

SMILES

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

InChI

InChI=1S/C5H2F10/c6-1-2(7,8)3(9,10)4(11,12)5(13,14)15/h1H2

InChIKey

KECUJGHSJYUAKD-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5-decafluoropentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2482
Patents: 251.99968 Da
Monoisotopic Mass: 3.7
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]+	253.006956	141.1
[M+Na]+	274.988898	150.8
[M-H]-	250.992404	129.8
[M+NH4]+	270.033503	157.4
[M+K]+	290.962838	148.4
[M+H-H2O]+	234.996940	129.8
[M+HCOO]-	296.997881	148.1
[M+CH3COO]-	311.013531	195.2
[M+Na-2H]-	272.974346	145.5
[M]+	251.99913142	125.8
[M]-	252.00022858	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe