CID 12675

Dodecafluoropentane

Structural Information

Molecular Formula

C₅F₁₂

SMILES

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

InChI

InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17

InChIKey

NJCBUSHGCBERSK-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 232
References: 12290
Patents: 287.98083 Da
Monoisotopic Mass: 4.5
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]+	288.98811	179.0
[M+Na]+	310.97005	179.3
[M+NH4]+	306.01465	178.3
[M+K]+	326.94399	177.6
[M-H]-	286.97355	173.6
[M+Na-2H]-	308.95550	177.0
[M]+	287.98028	177.3
[M]-	287.98138	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe