CID 87557405

2-(4-bromonaphthalen-1-yl)acetaldehyde

Structural Information

Molecular Formula
C12H9BrO
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)CC=O
InChI
InChI=1S/C12H9BrO/c13-12-6-5-9(7-8-14)10-3-1-2-4-11(10)12/h1-6,8H,7H2
InChIKey
BRNCCVDWKQHFDR-UHFFFAOYSA-N
Compound name
2-(4-bromonaphthalen-1-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.98367 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99095 142.8
[M+Na]+ 270.97289 148.6
[M+NH4]+ 266.01749 149.1
[M+K]+ 286.94683 146.6
[M-H]- 246.97639 144.9
[M+Na-2H]- 268.95834 147.9
[M]+ 247.98312 143.2
[M]- 247.98422 143.2
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