CID 10977765

77771-04-1

Structural Information

Molecular Formula

C₉H₈BrFO₂

SMILES

C1COC(O1)C2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C9H8BrFO2/c10-7-5-6(1-2-8(7)11)9-12-3-4-13-9/h1-2,5,9H,3-4H2

InChIKey

OATOZCSPTSMOIY-UHFFFAOYSA-N

Compound name

2-(3-bromo-4-fluorophenyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 69
Patents: 245.96918 Da
Monoisotopic Mass: 2.1
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]+	246.97646	147.4
[M+Na]+	268.95840	159.2
[M-H]-	244.96190	156.8
[M+NH4]+	264.00300	167.7
[M+K]+	284.93234	151.0
[M+H-H2O]+	228.96644	147.4
[M+HCOO]-	290.96738	166.5
[M+CH3COO]-	304.98303	186.9
[M+Na-2H]-	266.94385	153.9
[M]+	245.96863	165.1
[M]-	245.96973	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe