CID 9758

4-fluorobutyl acetate

Structural Information

Molecular Formula

C₆H₁₁FO₂

SMILES

CC(=O)OCCCCF

InChI

InChI=1S/C6H11FO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3

InChIKey

APLJRWZEMBRHHT-UHFFFAOYSA-N

Compound name

4-fluorobutyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 134.07431 Da
Monoisotopic Mass: 1.6
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]+	135.08159	127.9
[M+Na]+	157.06353	137.3
[M+NH4]+	152.10813	134.9
[M+K]+	173.03747	132.1
[M-H]-	133.06703	125.5
[M+Na-2H]-	155.04898	130.8
[M]+	134.07376	128.2
[M]-	134.07486	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe