CID 116007005

1599375-53-7

Structural Information

Molecular Formula

C₈H₇F₃O₃

SMILES

COCC1=CC=C(O1)C(=O)C(F)(F)F

InChI

InChI=1S/C8H7F3O3/c1-13-4-5-2-3-6(14-5)7(12)8(9,10)11/h2-3H,4H2,1H3

InChIKey

YSSGCWZOKRACLC-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-1-[5-(methoxymethyl)furan-2-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 208.03473 Da
Monoisotopic Mass: 1.8
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]+	209.04201	148.7
[M+Na]+	231.02395	156.1
[M+NH4]+	226.06855	153.3
[M+K]+	246.99789	154.2
[M-H]-	207.02745	145.1
[M+Na-2H]-	229.00940	150.1
[M]+	208.03418	148.3
[M]-	208.03528	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe