CID 264850

1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one

Structural Information

Molecular Formula
C17H13BrO
SMILES
C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C17H13BrO/c18-16-12-10-15(11-13-16)17(19)9-5-4-8-14-6-2-1-3-7-14/h1-13H
InChIKey
WCJMWFPTUMNNOI-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-5-phenylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.01498 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.02226 164.9
[M+Na]+ 335.00420 174.7
[M-H]- 311.00770 173.5
[M+NH4]+ 330.04880 183.0
[M+K]+ 350.97814 161.3
[M+H-H2O]+ 295.01224 163.9
[M+HCOO]- 357.01318 185.5
[M+CH3COO]- 371.02883 200.5
[M+Na-2H]- 332.98965 170.2
[M]+ 312.01443 182.6
[M]- 312.01553 182.6
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

No patent data available for this compound.