CID 13706726

2-fluoro-2-methylhexanoic acid

Structural Information

Molecular Formula

C₇H₁₃FO₂

SMILES

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

InChI

InChI=1S/C7H13FO2/c1-3-4-5-7(2,8)6(9)10/h3-5H2,1-2H3,(H,9,10)

InChIKey

MUUUOAHALCQUQV-UHFFFAOYSA-N

Compound name

2-fluoro-2-methylhexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 148.08995 Da
Monoisotopic Mass: 2.2
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]+	149.09723	132.7
[M+Na]+	171.07917	141.0
[M+NH4]+	166.12377	139.0
[M+K]+	187.05311	137.1
[M-H]-	147.08267	129.1
[M+Na-2H]-	169.06462	134.7
[M]+	148.08940	132.5
[M]-	148.09050	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe