CID 4998671

4-benzoyldibenzothiophene

Structural Information

Molecular Formula
C19H12OS
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC3=C2SC4=CC=CC=C34
InChI
InChI=1S/C19H12OS/c20-18(13-7-2-1-3-8-13)16-11-6-10-15-14-9-4-5-12-17(14)21-19(15)16/h1-12H
InChIKey
OOYPEQMEYKQZNN-UHFFFAOYSA-N
Compound name
dibenzothiophen-4-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

288.06088 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06816 164.7
[M+Na]+ 311.05010 175.5
[M-H]- 287.05360 174.2
[M+NH4]+ 306.09470 184.8
[M+K]+ 327.02404 169.1
[M+H-H2O]+ 271.05814 158.2
[M+HCOO]- 333.05908 183.8
[M+CH3COO]- 347.07473 177.9
[M+Na-2H]- 309.03555 169.2
[M]+ 288.06033 168.8
[M]- 288.06143 168.8
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

patents stripe