CID 67796

Hexanoyl fluoride

Structural Information

Molecular Formula

SMILES

CCCCCC(=O)F

InChI

InChI=1S/C6H11FO/c1-2-3-4-5-6(7)8/h2-5H2,1H3

InChIKey

AURYBMCZYGIOJH-UHFFFAOYSA-N

Compound name

hexanoyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 118.07939 Da
Monoisotopic Mass: 2.4
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]+	119.08667	122.9
[M+Na]+	141.06861	130.2
[M-H]-	117.07211	121.9
[M+NH4]+	136.11321	145.5
[M+K]+	157.04255	130.0
[M+H-H2O]+	101.07665	117.7
[M+HCOO]-	163.07759	145.1
[M+CH3COO]-	177.09324	171.9
[M+Na-2H]-	139.05406	128.3
[M]+	118.07884	123.1
[M]-	118.07994	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe