CID 28719

17739-80-9

Structural Information

Molecular Formula
C19H11ClOS
SMILES
C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H11ClOS/c20-14-8-5-12(6-9-14)19(21)13-7-10-16-15-3-1-2-4-17(15)22-18(16)11-13/h1-11H
InChIKey
NEVBJBQRKYPRLB-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-dibenzothiophen-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.0219 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.02918 172.1
[M+Na]+ 345.01112 184.4
[M-H]- 321.01462 181.8
[M+NH4]+ 340.05572 192.1
[M+K]+ 360.98506 176.7
[M+H-H2O]+ 305.01916 166.4
[M+HCOO]- 367.02010 186.6
[M+CH3COO]- 381.03575 185.2
[M+Na-2H]- 342.99657 175.4
[M]+ 322.02135 179.0
[M]- 322.02245 179.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.