CID 737356

83882-67-1

Structural Information

Molecular Formula

C₉H₈F₂O₂

SMILES

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

InChI

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

InChIKey

GIGWRVLNOYPOIT-UHFFFAOYSA-N

Compound name

1-[4-(difluoromethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 199
Patents: 186.04924 Da
Monoisotopic Mass: 2.7
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	149.8
[M+NH4]+	204.08306	146.0
[M+K]+	225.01240	144.6
[M-H]-	185.04196	137.9
[M+Na-2H]-	207.02391	144.2
[M]+	186.04869	140.1
[M]-	186.04979	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe