CID 64522129

4-(2,6-difluorophenyl)butan-2-one

Structural Information

Molecular Formula

C₁₀H₁₀F₂O

SMILES

CC(=O)CCC1=C(C=CC=C1F)F

InChI

InChI=1S/C10H10F2O/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-4H,5-6H2,1H3

InChIKey

GQEWEDZEQVAIPG-UHFFFAOYSA-N

Compound name

4-(2,6-difluorophenyl)butan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 184.06998 Da
Monoisotopic Mass: 2.0
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]+	185.07726	140.7
[M+Na]+	207.05920	152.1
[M+NH4]+	202.10380	147.9
[M+K]+	223.03314	145.5
[M-H]-	183.06270	140.0
[M+Na-2H]-	205.04465	145.9
[M]+	184.06943	141.9
[M]-	184.07053	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe