CID 72860

1-bromo-2-methoxynaphthalene

Structural Information

Molecular Formula
C11H9BrO
SMILES
COC1=C(C2=CC=CC=C2C=C1)Br
InChI
InChI=1S/C11H9BrO/c1-13-10-7-6-8-4-2-3-5-9(8)11(10)12/h2-7H,1H3
InChIKey
XNIGURFWNPLWJM-UHFFFAOYSA-N
Compound name
1-bromo-2-methoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

516
Patents

235.98367 Da
Monoisotopic Mass

3.8
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

literature stripe

Patent stripe

patents stripe