CID 2063346

127842-55-1

Structural Information

Molecular Formula

C₉H₈F₂O₂

SMILES

CC(=O)C1=CC=CC=C1OC(F)F

InChI

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

InChIKey

GSIJRMUIVJNUGP-UHFFFAOYSA-N

Compound name

1-[2-(difluoromethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 186.04924 Da
Monoisotopic Mass: 2.8
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	134.1
[M+Na]+	209.03846	142.3
[M-H]-	185.04196	135.4
[M+NH4]+	204.08306	153.8
[M+K]+	225.01240	140.9
[M+H-H2O]+	169.04650	126.7
[M+HCOO]-	231.04744	155.2
[M+CH3COO]-	245.06309	182.8
[M+Na-2H]-	207.02391	138.0
[M]+	186.04869	133.0
[M]-	186.04979	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe