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	130.9
[M+Na]+	171.07917	137.8
[M-H]-	147.08267	129.7
[M+NH4]+	166.12377	152.3
[M+K]+	187.05311	137.8
[M+H-H2O]+	131.08721	125.3
[M+HCOO]-	193.08815	153.0
[M+CH3COO]-	207.10380	176.2
[M+Na-2H]-	169.06462	135.7
[M]+	148.08940	132.8
[M]-	148.09050	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe