CID 43326953

2-bromo-1-(4-phenoxyphenyl)propan-1-one

Structural Information

Molecular Formula
C15H13BrO2
SMILES
CC(C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)Br
InChI
InChI=1S/C15H13BrO2/c1-11(16)15(17)12-7-9-14(10-8-12)18-13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
GREFNWJIXOAHOJ-UHFFFAOYSA-N
Compound name
2-bromo-1-(4-phenoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

304.0099 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01718 161.6
[M+Na]+ 326.99912 171.1
[M-H]- 303.00262 170.5
[M+NH4]+ 322.04372 179.8
[M+K]+ 342.97306 160.3
[M+H-H2O]+ 287.00716 160.6
[M+HCOO]- 349.00810 181.7
[M+CH3COO]- 363.02375 200.3
[M+Na-2H]- 324.98457 166.8
[M]+ 304.00935 180.9
[M]- 304.01045 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