CID 347924

1-bromo-4-(3-bromopropoxy)benzene

Structural Information

Molecular Formula

C₉H₁₀Br₂O

SMILES

C1=CC(=CC=C1OCCCBr)Br

InChI

InChI=1S/C9H10Br2O/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2

InChIKey

SBXHUNUKIBIOEC-UHFFFAOYSA-N

Compound name

1-bromo-4-(3-bromopropoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 291.90985 Da
Monoisotopic Mass: 3.7
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]+	292.91713	148.4
[M+Na]+	314.89907	144.0
[M+NH4]+	309.94367	150.8
[M+K]+	330.87301	149.5
[M-H]-	290.90257	149.5
[M+Na-2H]-	312.88452	150.5
[M]+	291.90930	147.0
[M]-	291.91040	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe