CID 9578697

2-propanone, 1-(3-(trifluoromethyl)phenyl)-, o-((2,5-dimethyl-3-furanyl)carbonyl)oxime

Structural Information

Molecular Formula

C₁₇H₁₆F₃NO₃

SMILES

CC1=CC(=C(O1)C)C(=O)O/N=C(\C)/CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H16F3NO3/c1-10(7-13-5-4-6-14(9-13)17(18,19)20)21-24-16(22)15-8-11(2)23-12(15)3/h4-6,8-9H,7H2,1-3H3/b21-10+

InChIKey

FQJSNVKNXFIPKU-UFFVCSGVSA-N

Compound name

[(E)-1-[3-(trifluoromethyl)phenyl]propan-2-ylideneamino] 2,5-dimethylfuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.10822 Da
Monoisotopic Mass: 4.3
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]+	340.115496	176.1
[M+Na]+	362.097438	184.3
[M-H]-	338.100944	181.5
[M+NH4]+	357.142043	190.7
[M+K]+	378.071378	182.4
[M+H-H2O]+	322.105480	166.6
[M+HCOO]-	384.106421	196.1
[M+CH3COO]-	398.122071	214.6
[M+Na-2H]-	360.082886	176.5
[M]+	339.10767142	177.5
[M]-	339.10876858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.