CID 11426732

90470-67-0

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: 30
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]+	171.081586	132.7
[M+Na]+	193.063528	140.8
[M-H]-	169.067034	135.3
[M+NH4]+	188.108133	153.3
[M+K]+	209.037468	140.0
[M+H-H2O]+	153.071570	126.2
[M+HCOO]-	215.072511	155.7
[M+CH3COO]-	229.088161	180.1
[M+Na-2H]-	191.048976	138.4
[M]+	170.07376142	134.1
[M]-	170.07485858	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe