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

7
Annotation Hits: 239
References: 13807
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]+	288.988106	147.7
[M+Na]+	310.970048	157.9
[M-H]-	286.973554	134.8
[M+NH4]+	306.014653	162.4
[M+K]+	326.943988	155.3
[M+H-H2O]+	270.978090	135.3
[M+HCOO]-	332.979031	151.2
[M+CH3COO]-	346.994681	201.3
[M+Na-2H]-	308.955496	151.9
[M]+	287.98028142	128.7
[M]-	287.98137858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe