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

17
Patents

263.97858 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.98586 147.5
[M+Na]+ 286.96780 160.6
[M-H]- 262.97130 155.2
[M+NH4]+ 282.01240 169.3
[M+K]+ 302.94174 149.5
[M+H-H2O]+ 246.97584 147.7
[M+HCOO]- 308.97678 168.9
[M+CH3COO]- 322.99243 194.2
[M+Na-2H]- 284.95325 156.0
[M]+ 263.97803 168.9
[M]- 263.97913 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