CID 6450732

1-(3,4-dibromophenyl)-5-phenyl-2,4-pentadien-1-one

Structural Information

Molecular Formula
C17H12Br2O
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC(=C(C=C2)Br)Br
InChI
InChI=1S/C17H12Br2O/c18-15-11-10-14(12-16(15)19)17(20)9-5-4-8-13-6-2-1-3-7-13/h1-12H/b8-4+,9-5+
InChIKey
RXMLCYIOTAOKRB-KBXRYBNXSA-N
Compound name
(2E,4E)-1-(3,4-dibromophenyl)-5-phenylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.92548 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.93276 165.1
[M+Na]+ 412.91470 174.5
[M-H]- 388.91820 173.7
[M+NH4]+ 407.95930 181.1
[M+K]+ 428.88864 157.7
[M+H-H2O]+ 372.92274 172.6
[M+HCOO]- 434.92368 180.4
[M+CH3COO]- 448.93933 215.7
[M+Na-2H]- 410.90015 169.6
[M]+ 389.92493 198.6
[M]- 389.92603 198.6
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.