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 174.8
[M+Na]+ 356.03518 183.1
[M-H]- 332.03868 184.0
[M+NH4]+ 351.07978 191.5
[M+K]+ 372.00912 173.4
[M+H-H2O]+ 316.04322 172.0
[M+HCOO]- 378.04416 194.2
[M+CH3COO]- 392.05981 202.8
[M+Na-2H]- 354.02063 180.4
[M]+ 333.04541 177.3
[M]- 333.04651 177.3
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.