CID 61834439

1306540-15-7

Structural Information

Molecular Formula
C17H15BrO2
SMILES
C1CC2=C(C=CC(=C2)OCC3=CC(=CC=C3)Br)C(=O)C1
InChI
InChI=1S/C17H15BrO2/c18-14-5-1-3-12(9-14)11-20-15-7-8-16-13(10-15)4-2-6-17(16)19/h1,3,5,7-10H,2,4,6,11H2
InChIKey
XEWIJBLUIQWBRA-UHFFFAOYSA-N
Compound name
6-[(3-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.02554 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03282 169.2
[M+Na]+ 353.01476 179.2
[M-H]- 329.01826 178.7
[M+NH4]+ 348.05936 187.7
[M+K]+ 368.98870 167.4
[M+H-H2O]+ 313.02280 168.0
[M+HCOO]- 375.02374 187.5
[M+CH3COO]- 389.03939 182.4
[M+Na-2H]- 351.00021 175.1
[M]+ 330.02499 187.0
[M]- 330.02609 187.0
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

No patent data available for this compound.