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]+ 248.990946 145.1
[M+Na]+ 270.972888 157.6
[M-H]- 246.976394 152.5
[M+NH4]+ 266.017493 167.3
[M+K]+ 286.946828 145.9
[M+H-H2O]+ 230.980930 145.5
[M+HCOO]- 292.981871 166.4
[M+CH3COO]- 306.997521 191.2
[M+Na-2H]- 268.958336 154.2
[M]+ 247.98312142 164.8
[M]- 247.98421858 164.8
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