CID 69179

Bromomethyl 2-naphthyl ketone

Structural Information

Molecular Formula
C12H9BrO
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CBr
InChI
InChI=1S/C12H9BrO/c13-8-12(14)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
InChIKey
YHXHHGDUANVQHE-UHFFFAOYSA-N
Compound name
2-bromo-1-naphthalen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

859
Patents

247.98367 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.99095 146.2
[M+Na]+ 270.97289 157.6
[M-H]- 246.97639 153.3
[M+NH4]+ 266.01749 168.1
[M+K]+ 286.94683 146.2
[M+H-H2O]+ 230.98093 146.5
[M+HCOO]- 292.98187 166.6
[M+CH3COO]- 306.99752 190.9
[M+Na-2H]- 268.95834 154.8
[M]+ 247.98312 165.0
[M]- 247.98422 165.0
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