CID 54522567

Perfluorodecanal

Structural Information

Molecular Formula

C₁₀HF₁₉O

SMILES

C(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10HF19O/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h1H

InChIKey

FKFXPJZGLIFLGJ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 497.9724 Da
Monoisotopic Mass: 6.2
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]+	498.979676	163.1
[M+Na]+	520.961618	168.9
[M-H]-	496.965124	170.7
[M+NH4]+	516.006223	173.0
[M+K]+	536.935558	177.8
[M+H-H2O]+	480.969660	152.2
[M+HCOO]-	542.970601	184.5
[M+CH3COO]-	556.986251	237.4
[M+Na-2H]-	518.947066	164.0
[M]+	497.97185142	162.3
[M]-	497.97294858	162.3

Literature stripe

literature stripe

Patent stripe

patents stripe