CID 22260864

81358-65-8

Structural Information

Molecular Formula

C₉H₁₀BrFO₂

SMILES

COC(C1=CC(=C(C=C1)F)Br)OC

InChI

InChI=1S/C9H10BrFO2/c1-12-9(13-2)6-3-4-8(11)7(10)5-6/h3-5,9H,1-2H3

InChIKey

BYQHKXISZJLWJG-UHFFFAOYSA-N

Compound name

2-bromo-4-(dimethoxymethyl)-1-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 247.98482 Da
Monoisotopic Mass: 2.3
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]+	248.99210	144.2
[M+Na]+	270.97404	156.2
[M-H]-	246.97754	149.6
[M+NH4]+	266.01864	165.5
[M+K]+	286.94798	146.2
[M+H-H2O]+	230.98208	143.6
[M+HCOO]-	292.98302	164.6
[M+CH3COO]-	306.99867	191.2
[M+Na-2H]-	268.95949	150.1
[M]+	247.98427	164.4
[M]-	247.98537	164.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe