CID 735457

6-bromo-2-hydroxy-1-naphthaldehyde

Structural Information

Molecular Formula
C11H7BrO2
SMILES
C1=CC2=C(C=CC(=C2C=O)O)C=C1Br
InChI
InChI=1S/C11H7BrO2/c12-8-2-3-9-7(5-8)1-4-11(14)10(9)6-13/h1-6,14H
InChIKey
GSZLSWQEDNSDKG-UHFFFAOYSA-N
Compound name
6-bromo-2-hydroxynaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

249.96294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97022 143.6
[M+Na]+ 272.95216 156.8
[M-H]- 248.95566 150.2
[M+NH4]+ 267.99676 165.3
[M+K]+ 288.92610 144.9
[M+H-H2O]+ 232.96020 144.2
[M+HCOO]- 294.96114 164.0
[M+CH3COO]- 308.97679 189.0
[M+Na-2H]- 270.93761 152.2
[M]+ 249.96239 163.0
[M]- 249.96349 163.0
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