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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.90148 144.3
[M+Na]+ 336.88342 156.1
[M-H]- 312.88692 152.1
[M+NH4]+ 331.92802 164.2
[M+K]+ 352.85736 141.3
[M+H-H2O]+ 296.89146 152.8
[M+HCOO]- 358.89240 160.4
[M+CH3COO]- 372.90805 206.6
[M+Na-2H]- 334.86887 152.6
[M]+ 313.89365 179.7
[M]- 313.89475 179.7
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