CID 88031

1-(3-(benzyloxy)phenyl)-2-bromoethanone

Structural Information

Molecular Formula
C15H13BrO2
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)CBr
InChI
InChI=1S/C15H13BrO2/c16-10-15(17)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKey
GFZOJLIHCWKKPR-UHFFFAOYSA-N
Compound name
2-bromo-1-(3-phenylmethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

304.0099 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.017176 161.3
[M+Na]+ 326.999118 171.1
[M-H]- 303.002624 170.1
[M+NH4]+ 322.043723 179.6
[M+K]+ 342.973058 159.8
[M+H-H2O]+ 287.007160 160.2
[M+HCOO]- 349.008101 182.4
[M+CH3COO]- 363.023751 199.5
[M+Na-2H]- 324.984566 167.6
[M]+ 304.00935142 181.2
[M]- 304.01044858 181.2
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