CID 67542

Perfluorohexanoic acid

Structural Information

Molecular Formula

C₆HF₁₁O₂

SMILES

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

InChI

InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)

InChIKey

PXUULQAPEKKVAH-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 193
References: 2963
Patents: 313.9801 Da
Monoisotopic Mass: 3.6
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]+	314.987376	151.4
[M+Na]+	336.969318	160.6
[M-H]-	312.972824	138.0
[M+NH4]+	332.013923	164.3
[M+K]+	352.943258	158.2
[M+H-H2O]+	296.977360	139.9
[M+HCOO]-	358.978301	154.0
[M+CH3COO]-	372.993951	202.5
[M+Na-2H]-	334.954766	155.0
[M]+	313.97955142	134.0
[M]-	313.98064858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe