CID 2777681

10557-13-8

Structural Information

Molecular Formula

C₁₀H₇F₃O₂

SMILES

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

InChI

InChI=1S/C10H7F3O2/c1-6(14)9(15)7-2-4-8(5-3-7)10(11,12)13/h2-5H,1H3

InChIKey

FAKCECCBNBDCNE-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethyl)phenyl]propane-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 216.03981 Da
Monoisotopic Mass: 2.9
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]+	217.04709	149.5
[M+Na]+	239.02903	158.2
[M+NH4]+	234.07363	154.4
[M+K]+	255.00297	153.8
[M-H]-	215.03253	145.6
[M+Na-2H]-	237.01448	152.8
[M]+	216.03926	149.3
[M]-	216.04036	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe