CID 53960729

3-fluoropropanoyl chloride

Structural Information

Molecular Formula

SMILES

C(CF)C(=O)Cl

InChI

InChI=1S/C3H4ClFO/c4-3(6)1-2-5/h1-2H2

InChIKey

JKTJPZITKZLMID-UHFFFAOYSA-N

Compound name

3-fluoropropanoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 109.99347 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]+	111.00075	113.6
[M+Na]+	132.98269	122.9
[M-H]-	108.98619	113.0
[M+NH4]+	128.02729	137.3
[M+K]+	148.95663	121.3
[M+H-H2O]+	92.990730	109.9
[M+HCOO]-	154.99167	132.3
[M+CH3COO]-	169.00732	166.7
[M+Na-2H]-	130.96814	120.3
[M]+	109.99292	114.4
[M]-	109.99402	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe