CID 3062521

Methanone, (3-bromophenyl)-2-dibenzothienyl-

Structural Information

Molecular Formula
C19H11BrOS
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C19H11BrOS/c20-14-5-3-4-12(10-14)19(21)13-8-9-18-16(11-13)15-6-1-2-7-17(15)22-18/h1-11H
InChIKey
IYLICEZWYRGHDE-UHFFFAOYSA-N
Compound name
(3-bromophenyl)-dibenzothiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.9714 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.97868 161.7
[M+Na]+ 388.96062 169.1
[M+NH4]+ 384.00522 169.1
[M+K]+ 404.93456 166.1
[M-H]- 364.96412 166.4
[M+Na-2H]- 386.94607 168.5
[M]+ 365.97085 163.7
[M]- 365.97195 163.7
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.