CID 2760804

4-(trifluorovinyloxy)benzoyl chloride

Structural Information

Molecular Formula

C₉H₄ClF₃O₂

SMILES

C1=CC(=CC=C1C(=O)Cl)OC(=C(F)F)F

InChI

InChI=1S/C9H4ClF3O2/c10-7(14)5-1-3-6(4-2-5)15-9(13)8(11)12/h1-4H

InChIKey

URKWITSBCNASJX-UHFFFAOYSA-N

Compound name

4-(1,2,2-trifluoroethenoxy)benzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 95
Patents: 235.9852 Da
Monoisotopic Mass: 3.3
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]+	236.99248	139.3
[M+Na]+	258.97442	148.5
[M-H]-	234.97792	139.2
[M+NH4]+	254.01902	157.7
[M+K]+	274.94836	144.5
[M+H-H2O]+	218.98246	132.1
[M+HCOO]-	280.98340	154.2
[M+CH3COO]-	294.99905	188.7
[M+Na-2H]-	256.95987	141.3
[M]+	235.98465	137.9
[M]-	235.98575	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe