CID 21156013

9h-thioxanthen-9-one, 2-(dichloromethyl)-

Structural Information

Molecular Formula
C14H8Cl2OS
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(Cl)Cl
InChI
InChI=1S/C14H8Cl2OS/c15-14(16)8-5-6-12-10(7-8)13(17)9-3-1-2-4-11(9)18-12/h1-7,14H
InChIKey
LTPDCHFCGXKXOZ-UHFFFAOYSA-N
Compound name
2-(dichloromethyl)thioxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

293.9673 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.97458 154.3
[M+Na]+ 316.95652 167.2
[M-H]- 292.96002 160.2
[M+NH4]+ 312.00112 174.3
[M+K]+ 332.93046 160.0
[M+H-H2O]+ 276.96456 150.3
[M+HCOO]- 338.96550 163.1
[M+CH3COO]- 352.98115 167.6
[M+Na-2H]- 314.94197 160.3
[M]+ 293.96675 162.1
[M]- 293.96785 162.1
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.