CID 4640413

4-bromo-1-naphthaldehyde

Structural Information

Molecular Formula
C11H7BrO
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)C=O
InChI
InChI=1S/C11H7BrO/c12-11-6-5-8(7-13)9-3-1-2-4-10(9)11/h1-7H
InChIKey
SESASPRCAIMYLA-UHFFFAOYSA-N
Compound name
4-bromonaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

233.96803 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.97531 140.3
[M+Na]+ 256.95725 153.3
[M-H]- 232.96075 147.9
[M+NH4]+ 252.00185 163.1
[M+K]+ 272.93119 141.8
[M+H-H2O]+ 216.96529 140.9
[M+HCOO]- 278.96623 162.0
[M+CH3COO]- 292.98188 188.4
[M+Na-2H]- 254.94270 150.1
[M]+ 233.96748 159.8
[M]- 233.96858 159.8
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