CID 68035

Butanoyl fluoride

Structural Information

Molecular Formula

SMILES

CCCC(=O)F

InChI

InChI=1S/C4H7FO/c1-2-3-4(5)6/h2-3H2,1H3

InChIKey

GSJWYIDMIRQHMV-UHFFFAOYSA-N

Compound name

butanoyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 304
Patents: 90.048096 Da
Monoisotopic Mass: 1.1
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]+	91.055372	113.4
[M+Na]+	113.03731	121.5
[M-H]-	89.040820	112.8
[M+NH4]+	108.08192	137.1
[M+K]+	129.01125	121.9
[M+H-H2O]+	73.045356	108.7
[M+HCOO]-	135.04630	136.2
[M+CH3COO]-	149.06195	165.8
[M+Na-2H]-	111.02276	119.9
[M]+	90.047547	112.8
[M]-	90.048645	112.8

Literature stripe

literature stripe

Patent stripe

patents stripe