CID 16685

Tetrasul

Structural Information

Molecular Formula
C12H6Cl4S
SMILES
C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H
InChIKey
QUWSDLYBOVGOCW-UHFFFAOYSA-N
Compound name
1,2,4-trichloro-5-(4-chlorophenyl)sulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

8485
Patents

321.89444 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.90172 159.8
[M+Na]+ 344.88366 170.9
[M-H]- 320.88716 163.9
[M+NH4]+ 339.92826 176.1
[M+K]+ 360.85760 163.7
[M+H-H2O]+ 304.89170 156.5
[M+HCOO]- 366.89264 159.0
[M+CH3COO]- 380.90829 170.6
[M+Na-2H]- 342.86911 159.4
[M]+ 321.89389 164.0
[M]- 321.89499 164.0
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

patents stripe