CID 3161249

162401-70-9

Structural Information

Molecular Formula

C₉H₈F₂O₃

SMILES

COC1=C(C=CC(=C1)C=O)OC(F)F

InChI

InChI=1S/C9H8F2O3/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-5,9H,1H3

InChIKey

KGPOVKAYCXTCQS-UHFFFAOYSA-N

Compound name

4-(difluoromethoxy)-3-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 202.04414 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]+	203.05142	142.3
[M+Na]+	225.03336	153.0
[M+NH4]+	220.07796	148.5
[M+K]+	241.00730	147.7
[M-H]-	201.03686	140.6
[M+Na-2H]-	223.01881	146.9
[M]+	202.04359	143.1
[M]-	202.04469	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe