CID 2773851

129825-11-2

Structural Information

Molecular Formula

C₉H₆ClF₃O

SMILES

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

InChI

InChI=1S/C9H6ClF3O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3

InChIKey

UYNMUXTXDHJBEN-UHFFFAOYSA-N

Compound name

1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 132
Patents: 222.00592 Da
Monoisotopic Mass: 3.8
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]+	223.01320	145.5
[M+Na]+	244.99514	156.0
[M+NH4]+	240.03974	151.7
[M+K]+	260.96908	150.4
[M-H]-	220.99864	142.6
[M+Na-2H]-	242.98059	149.9
[M]+	222.00537	146.2
[M]-	222.00647	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe