CID 22475315

2,2-difluoro-2-phenylacetyl chloride

Structural Information

Molecular Formula

C₈H₅ClF₂O

SMILES

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

InChI

InChI=1S/C8H5ClF2O/c9-7(12)8(10,11)6-4-2-1-3-5-6/h1-5H

InChIKey

WHESXQIOHUXMOJ-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-phenylacetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 189.9997 Da
Monoisotopic Mass: 3.1
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]+	191.00698	135.4
[M+Na]+	212.98892	146.9
[M+NH4]+	208.03352	143.0
[M+K]+	228.96286	141.0
[M-H]-	188.99242	134.1
[M+Na-2H]-	210.97437	141.8
[M]+	189.99915	136.8
[M]-	190.00025	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe