CID 2757834

781-97-5

Structural Information

Molecular Formula

C₉H₄ClF₅O

SMILES

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

InChI

InChI=1S/C9H4ClF5O/c10-6-3-1-5(2-4-6)7(16)8(11,12)9(13,14)15/h1-4H

InChIKey

SVCOUMOZVHFUSG-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 257.9871 Da
Monoisotopic Mass: 4.0
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]+	258.99438	142.8
[M+Na]+	280.97632	153.2
[M-H]-	256.97982	140.5
[M+NH4]+	276.02092	160.5
[M+K]+	296.95026	148.3
[M+H-H2O]+	240.98436	134.5
[M+HCOO]-	302.98530	153.9
[M+CH3COO]-	317.00095	192.4
[M+Na-2H]-	278.96177	147.3
[M]+	257.98655	138.2
[M]-	257.98765	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe