CID 7537665

17515-80-9

Structural Information

Molecular Formula

C₆H₃F₃O₂

SMILES

C1=C(OC(=C1)C(F)(F)F)C=O

InChI

InChI=1S/C6H3F3O2/c7-6(8,9)5-2-1-4(3-10)11-5/h1-3H

InChIKey

KLVCIHFXPHKSPD-UHFFFAOYSA-N

Compound name

5-(trifluoromethyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 205
Patents: 164.00851 Da
Monoisotopic Mass: 1.2
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]+	165.015786	123.8
[M+Na]+	186.997728	134.3
[M-H]-	163.001234	125.0
[M+NH4]+	182.042333	145.2
[M+K]+	202.971668	133.9
[M+H-H2O]+	147.005770	117.2
[M+HCOO]-	209.006711	145.1
[M+CH3COO]-	223.022361	174.5
[M+Na-2H]-	184.983176	130.9
[M]+	164.00796142	122.4
[M]-	164.00905858	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe