CID 5151036

1-(4-bromophenyl)-3-[(4-bromophenyl)sulfanyl]-1-propanone

Structural Information

Molecular Formula
C15H12Br2OS
SMILES
C1=CC(=CC=C1C(=O)CCSC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C15H12Br2OS/c16-12-3-1-11(2-4-12)15(18)9-10-19-14-7-5-13(17)6-8-14/h1-8H,9-10H2
InChIKey
WZGDFDKLLHCAOO-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(4-bromophenyl)sulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.89755 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.90483 151.6
[M+Na]+ 420.88677 162.2
[M-H]- 396.89027 160.9
[M+NH4]+ 415.93137 168.4
[M+K]+ 436.86071 145.8
[M+H-H2O]+ 380.89481 159.9
[M+HCOO]- 442.89575 163.8
[M+CH3COO]- 456.91140 216.1
[M+Na-2H]- 418.87222 156.5
[M]+ 397.89700 187.8
[M]- 397.89810 187.8
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.