CID 3503057

1,6-dibromo-2-methoxynaphthalene

Structural Information

Molecular Formula
C11H8Br2O
SMILES
COC1=C(C2=C(C=C1)C=C(C=C2)Br)Br
InChI
InChI=1S/C11H8Br2O/c1-14-10-5-2-7-6-8(12)3-4-9(7)11(10)13/h2-6H,1H3
InChIKey
HFEOLDKRKNUVAD-UHFFFAOYSA-N
Compound name
1,6-dibromo-2-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

313.8942 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe