CID 256544

1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C16H13BrO2
SMILES
COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C16H13BrO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3
InChIKey
FTECEXAWFUIWJG-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

33
Patents

316.0099 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.01718 164.0
[M+Na]+ 338.99912 174.5
[M-H]- 315.00262 173.0
[M+NH4]+ 334.04372 182.1
[M+K]+ 354.97306 162.5
[M+H-H2O]+ 299.00716 162.9
[M+HCOO]- 361.00810 184.9
[M+CH3COO]- 375.02375 202.0
[M+Na-2H]- 336.98457 169.1
[M]+ 316.00935 183.8
[M]- 316.01045 183.8
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