CID 3572059

2,4-dibromo-1-methoxynaphthalene

Structural Information

Molecular Formula

C₁₁H₈Br₂O

SMILES

COC1=C(C=C(C2=CC=CC=C21)Br)Br

InChI

InChI=1S/C11H8Br2O/c1-14-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6H,1H3

InChIKey

HNLGVRSNVMKQMJ-UHFFFAOYSA-N

Compound name

2,4-dibromo-1-methoxynaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 313.8942 Da
Monoisotopic Mass: 4.5
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]+	314.90148	148.3
[M+Na]+	336.88342	145.0
[M+NH4]+	331.92802	151.2
[M+K]+	352.85736	150.4
[M-H]-	312.88692	150.0
[M+Na-2H]-	334.86887	150.8
[M]+	313.89365	147.3
[M]-	313.89475	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe