CID 81358077

2-fluoro-4,4-dimethylpentanoic acid

Structural Information

Molecular Formula

C₇H₁₃FO₂

SMILES

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

InChI

InChI=1S/C7H13FO2/c1-7(2,3)4-5(8)6(9)10/h5H,4H2,1-3H3,(H,9,10)

InChIKey

DSBGSTZDXUJYSO-UHFFFAOYSA-N

Compound name

2-fluoro-4,4-dimethylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 148.08995 Da
Monoisotopic Mass: 2.3
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	133.0
[M+Na]+	171.07917	141.0
[M+NH4]+	166.12377	139.2
[M+K]+	187.05311	137.9
[M-H]-	147.08267	129.2
[M+Na-2H]-	169.06462	134.6
[M]+	148.08940	132.7
[M]-	148.09050	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe