CID 9520

Methyl 6-fluorohexanoate

Structural Information

Molecular Formula

C₇H₁₃FO₂

SMILES

COC(=O)CCCCCF

InChI

InChI=1S/C7H13FO2/c1-10-7(9)5-3-2-4-6-8/h2-6H2,1H3

InChIKey

LQPIFFDGZYPEAQ-UHFFFAOYSA-N

Compound name

methyl 6-fluorohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 148.08995 Da
Monoisotopic Mass: 1.5
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	132.3
[M+Na]+	171.07917	141.5
[M+NH4]+	166.12377	139.2
[M+K]+	187.05311	136.1
[M-H]-	147.08267	129.9
[M+Na-2H]-	169.06462	135.0
[M]+	148.08940	132.6
[M]-	148.09050	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe