CID 2757564

2-chloro-4-fluorophenylacetone

Structural Information

Molecular Formula

SMILES

CC(=O)CC1=C(C=C(C=C1)F)Cl

InChI

InChI=1S/C9H8ClFO/c1-6(12)4-7-2-3-8(11)5-9(7)10/h2-3,5H,4H2,1H3

InChIKey

CDQMKCMBGINRCD-UHFFFAOYSA-N

Compound name

1-(2-chloro-4-fluorophenyl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 186.02477 Da
Monoisotopic Mass: 2.5
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]+	187.03205	134.4
[M+Na]+	209.01399	148.1
[M+NH4]+	204.05859	143.1
[M+K]+	224.98793	141.0
[M-H]-	185.01749	135.4
[M+Na-2H]-	206.99944	141.2
[M]+	186.02422	136.9
[M]-	186.02532	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe