CID 4077236

2-(2-bromo-4-methylphenoxy)acetophenone

Structural Information

Molecular Formula
C15H13BrO2
SMILES
CC1=CC(=C(C=C1)OCC(=O)C2=CC=CC=C2)Br
InChI
InChI=1S/C15H13BrO2/c1-11-7-8-15(13(16)9-11)18-10-14(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
BTISHSOIFDWYLH-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-methylphenoxy)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

304.0099 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.017176 160.7
[M+Na]+ 326.999118 171.3
[M-H]- 303.002624 169.8
[M+NH4]+ 322.043723 179.3
[M+K]+ 342.973058 160.0
[M+H-H2O]+ 287.007160 159.7
[M+HCOO]- 349.008101 181.7
[M+CH3COO]- 363.023751 200.6
[M+Na-2H]- 324.984566 166.3
[M]+ 304.00935142 180.9
[M]- 304.01044858 180.9
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