CID 24724085

898789-74-7

Structural Information

Molecular Formula

C₁₁H₁₂F₂O

SMILES

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

InChI

InChI=1S/C11H12F2O/c1-11(2,3)10(14)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3

InChIKey

FSFGPGJGIXVYOL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 198.08562 Da
Monoisotopic Mass: 3.4
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]+	199.09290	138.7
[M+Na]+	221.07484	147.9
[M-H]-	197.07834	140.5
[M+NH4]+	216.11944	158.7
[M+K]+	237.04878	145.6
[M+H-H2O]+	181.08288	132.2
[M+HCOO]-	243.08382	158.5
[M+CH3COO]-	257.09947	186.8
[M+Na-2H]-	219.06029	143.0
[M]+	198.08507	137.4
[M]-	198.08617	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe