CID 67937

Propionyl fluoride

Structural Information

Molecular Formula

SMILES

CCC(=O)F

InChI

InChI=1S/C3H5FO/c1-2-3(4)5/h2H2,1H3

InChIKey

WMFABESKCHGSRC-UHFFFAOYSA-N

Compound name

propanoyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 929
Patents: 76.03244 Da
Monoisotopic Mass: 0.7
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]+	77.039716	108.6
[M+Na]+	99.021658	117.2
[M-H]-	75.025164	108.2
[M+NH4]+	94.066263	132.9
[M+K]+	114.99560	117.8
[M+H-H2O]+	59.029700	104.1
[M+HCOO]-	121.03064	131.8
[M+CH3COO]-	135.04629	162.8
[M+Na-2H]-	97.007106	115.7
[M]+	76.031891	107.7
[M]-	76.032989	107.7

Literature stripe

literature stripe

Patent stripe

patents stripe