CID 13025837

1-bromo-3-methoxynaphthalene

Structural Information

Molecular Formula
C11H9BrO
SMILES
COC1=CC2=CC=CC=C2C(=C1)Br
InChI
InChI=1S/C11H9BrO/c1-13-9-6-8-4-2-3-5-10(8)11(12)7-9/h2-7H,1H3
InChIKey
GPVSVDNPAVXAQT-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

235.98367 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99095 141.9
[M+Na]+ 258.97289 154.6
[M-H]- 234.97639 149.5
[M+NH4]+ 254.01749 164.8
[M+K]+ 274.94683 143.7
[M+H-H2O]+ 218.98093 142.5
[M+HCOO]- 280.98187 163.5
[M+CH3COO]- 294.99752 189.2
[M+Na-2H]- 256.95834 151.6
[M]+ 235.98312 162.0
[M]- 235.98422 162.0
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