CID 67236045

1312304-32-7

Structural Information

Molecular Formula

C₈H₉F₃O₃

SMILES

CC1(OC/C(=C\C(=O)C(F)(F)F)/O1)C

InChI

InChI=1S/C8H9F3O3/c1-7(2)13-4-5(14-7)3-6(12)8(9,10)11/h3H,4H2,1-2H3/b5-3+

InChIKey

KLRZCGOQZZNVRA-HWKANZROSA-N

Compound name

(3E)-3-(2,2-dimethyl-1,3-dioxolan-4-ylidene)-1,1,1-trifluoropropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 210.05038 Da
Monoisotopic Mass: 1.4
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]+	211.05766	152.1
[M+Na]+	233.03960	158.4
[M+NH4]+	228.08420	157.5
[M+K]+	249.01354	155.3
[M-H]-	209.04310	149.0
[M+Na-2H]-	231.02505	152.8
[M]+	210.04983	151.8
[M]-	210.05093	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe