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 145.1
[M+Na]+ 270.97289 157.6
[M-H]- 246.97639 152.5
[M+NH4]+ 266.01749 167.3
[M+K]+ 286.94683 145.9
[M+H-H2O]+ 230.98093 145.5
[M+HCOO]- 292.98187 166.4
[M+CH3COO]- 306.99752 191.2
[M+Na-2H]- 268.95834 154.2
[M]+ 247.98312 164.8
[M]- 247.98422 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