CID 13202138

Ketone, 2-dibenzothienyl p-nitrophenyl

Structural Information

Molecular Formula
C19H11NO3S
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H11NO3S/c21-19(12-5-8-14(9-6-12)20(22)23)13-7-10-18-16(11-13)15-3-1-2-4-17(15)24-18/h1-11H
InChIKey
KCDRUBUYKFBVLJ-UHFFFAOYSA-N
Compound name
dibenzothiophen-2-yl-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.04596 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.05324 169.6
[M+Na]+ 356.03518 186.2
[M+NH4]+ 351.07978 179.7
[M+K]+ 372.00912 179.8
[M-H]- 332.03868 176.9
[M+Na-2H]- 354.02063 178.7
[M]+ 333.04541 174.7
[M]- 333.04651 174.7
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.