CID 11426732

2-fluorobenzaldehyde dimethyl acetal

Structural Information

Molecular Formula

C₉H₁₁FO₂

SMILES

COC(C1=CC=CC=C1F)OC

InChI

InChI=1S/C9H11FO2/c1-11-9(12-2)7-5-3-4-6-8(7)10/h3-6,9H,1-2H3

InChIKey

GHRDHBIBFZLUJM-UHFFFAOYSA-N

Compound name

1-(dimethoxymethyl)-2-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 170.07431 Da
Monoisotopic Mass: 1.7
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]+	171.08159	134.7
[M+Na]+	193.06353	146.8
[M+NH4]+	188.10813	142.8
[M+K]+	209.03747	140.7
[M-H]-	169.06703	135.4
[M+Na-2H]-	191.04898	141.2
[M]+	170.07376	136.5
[M]-	170.07486	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe