CID 20093056

1-(3,4-difluorophenyl)-2-methoxyethan-1-one

Structural Information

Molecular Formula

C₉H₈F₂O₂

SMILES

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

InChI

InChI=1S/C9H8F2O2/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3

InChIKey

UPBQDEVAONCZME-UHFFFAOYSA-N

Compound name

1-(3,4-difluorophenyl)-2-methoxyethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 186.04924 Da
Monoisotopic Mass: 1.9
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]+	187.05652	139.3
[M+Na]+	209.03846	150.5
[M+NH4]+	204.08306	146.1
[M+K]+	225.01240	144.6
[M-H]-	185.04196	138.1
[M+Na-2H]-	207.02391	144.3
[M]+	186.04869	140.3
[M]-	186.04979	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe