CID 59266431

7-bromo-3-methoxy-2-naphthaldehyde

Structural Information

Molecular Formula
C12H9BrO2
SMILES
COC1=C(C=C2C=C(C=CC2=C1)Br)C=O
InChI
InChI=1S/C12H9BrO2/c1-15-12-6-8-2-3-11(13)5-9(8)4-10(12)7-14/h2-7H,1H3
InChIKey
OQOGUOGGWYCIGA-UHFFFAOYSA-N
Compound name
7-bromo-3-methoxynaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

263.97858 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.985856 147.5
[M+Na]+ 286.967798 160.6
[M-H]- 262.971304 155.2
[M+NH4]+ 282.012403 169.3
[M+K]+ 302.941738 149.5
[M+H-H2O]+ 246.975840 147.7
[M+HCOO]- 308.976781 168.9
[M+CH3COO]- 322.992431 194.2
[M+Na-2H]- 284.953246 156.0
[M]+ 263.97803142 168.9
[M]- 263.97912858 168.9
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