CID 236858

2-bromo-6-ethoxynaphthalene

Structural Information

Molecular Formula
C12H11BrO
SMILES
CCOC1=CC2=C(C=C1)C=C(C=C2)Br
InChI
InChI=1S/C12H11BrO/c1-2-14-12-6-4-9-7-11(13)5-3-10(9)8-12/h3-8H,2H2,1H3
InChIKey
FXVYIQCXQULCKL-UHFFFAOYSA-N
Compound name
2-bromo-6-ethoxynaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

249.99933 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00661 146.7
[M+Na]+ 272.98855 158.9
[M-H]- 248.99205 154.1
[M+NH4]+ 268.03315 169.0
[M+K]+ 288.96249 147.8
[M+H-H2O]+ 232.99659 147.0
[M+HCOO]- 294.99753 167.9
[M+CH3COO]- 309.01318 192.0
[M+Na-2H]- 270.97400 155.8
[M]+ 249.99878 167.1
[M]- 249.99988 167.1
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