CID 3830513

13686-51-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

228
Patents

247.98367 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99095 142.0
[M+Na]+ 270.97289 147.2
[M+NH4]+ 266.01749 148.2
[M+K]+ 286.94683 145.7
[M-H]- 246.97639 143.9
[M+Na-2H]- 268.95834 147.1
[M]+ 247.98312 142.2
[M]- 247.98422 142.2
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