CID 193452

10262-65-4

Structural Information

Molecular Formula
C13H11BrO2
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C(=O)CBr
InChI
InChI=1S/C13H11BrO2/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7H,8H2,1H3
InChIKey
HHHKEQGAGUAOQI-UHFFFAOYSA-N
Compound name
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

51
Patents

277.99423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00151 153.3
[M+Na]+ 300.98345 164.9
[M-H]- 276.98695 160.5
[M+NH4]+ 296.02805 174.2
[M+K]+ 316.95739 153.9
[M+H-H2O]+ 260.99149 153.2
[M+HCOO]- 322.99243 173.5
[M+CH3COO]- 337.00808 196.7
[M+Na-2H]- 298.96890 160.7
[M]+ 277.99368 174.1
[M]- 277.99478 174.1
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