CID 39871133

1087784-77-7

Structural Information

Molecular Formula

C₆H₅ClF₂O₂

SMILES

C1COC=C1C(=O)C(F)(F)Cl

InChI

InChI=1S/C6H5ClF2O2/c7-6(8,9)5(10)4-1-2-11-3-4/h3H,1-2H2

InChIKey

KKMMAGGZZPRLGJ-UHFFFAOYSA-N

Compound name

2-chloro-1-(2,3-dihydrofuran-4-yl)-2,2-difluoroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.99461 Da
Monoisotopic Mass: 1.6
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]+	183.00189	130.4
[M+Na]+	204.98383	139.2
[M-H]-	180.98733	132.0
[M+NH4]+	200.02843	151.4
[M+K]+	220.95777	137.7
[M+H-H2O]+	164.99187	125.0
[M+HCOO]-	226.99281	145.6
[M+CH3COO]-	241.00846	176.3
[M+Na-2H]-	202.96928	135.9
[M]+	181.99406	129.6
[M]-	181.99516	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.