CID 59259540

2-[4-(difluoromethoxy)phenyl]acetaldehyde

Structural Information

Molecular Formula

C₉H₈F₂O₂

SMILES

C1=CC(=CC=C1CC=O)OC(F)F

InChI

InChI=1S/C9H8F2O2/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,6,9H,5H2

InChIKey

PYXKPYGPEVGHDW-UHFFFAOYSA-N

Compound name

2-[4-(difluoromethoxy)phenyl]acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 186.04924 Da
Monoisotopic Mass: 2.2
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	139.2
[M+Na]+	209.03846	150.1
[M+NH4]+	204.08306	146.0
[M+K]+	225.01240	144.0
[M-H]-	185.04196	138.0
[M+Na-2H]-	207.02391	144.5
[M]+	186.04869	140.1
[M]-	186.04979	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe