CID 260004

1-(3-bromopropoxy)-4-fluorobenzene

Structural Information

Molecular Formula

C₉H₁₀BrFO

SMILES

C1=CC(=CC=C1OCCCBr)F

InChI

InChI=1S/C9H10BrFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2

InChIKey

VKNUENLPKPOOPS-UHFFFAOYSA-N

Compound name

1-(3-bromopropoxy)-4-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 231.98991 Da
Monoisotopic Mass: 3.1
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]+	232.99719	144.2
[M+Na]+	254.97913	147.6
[M+NH4]+	250.02373	149.1
[M+K]+	270.95307	146.2
[M-H]-	230.98263	144.1
[M+Na-2H]-	252.96458	147.8
[M]+	231.98936	143.4
[M]-	231.99046	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe