CID 136148

1h,1h-perfluorooctylamine

Structural Information

Molecular Formula

C₈H₄F₁₅N

SMILES

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

InChI

InChI=1S/C8H4F15N/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1,24H2

InChIKey

HZCZXRSVKNFILZ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 505
Patents: 399.0104 Da
Monoisotopic Mass: 4.4
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]+	400.01768	168.9
[M+Na]+	421.99962	169.0
[M+NH4]+	417.04422	168.5
[M+K]+	437.97356	168.6
[M-H]-	398.00312	166.3
[M+Na-2H]-	419.98507	168.4
[M]+	399.00985	168.1
[M]-	399.01095	168.1

Literature stripe

literature stripe

Patent stripe

patents stripe