CID 2782723

157033-24-4

Structural Information

Molecular Formula

C₈H₅ClF₂O

SMILES

C1=C(C=C(C=C1F)F)CC(=O)Cl

InChI

InChI=1S/C8H5ClF2O/c9-8(12)3-5-1-6(10)4-7(11)2-5/h1-2,4H,3H2

InChIKey

WMVPARKLYWQLNN-UHFFFAOYSA-N

Compound name

2-(3,5-difluorophenyl)acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 235
Patents: 189.9997 Da
Monoisotopic Mass: 2.6
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]+	191.00698	134.0
[M+Na]+	212.98892	146.6
[M+NH4]+	208.03352	141.8
[M+K]+	228.96286	139.9
[M-H]-	188.99242	133.4
[M+Na-2H]-	210.97437	140.1
[M]+	189.99915	135.8
[M]-	190.00025	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe