CID 194038

Zinc, bis(2,3,5-trichlorophenylthio)-

Structural Information

Molecular Formula
C6H3Cl3S
SMILES
C1=C(C=C(C(=C1S)Cl)Cl)Cl
InChI
InChI=1S/C6H3Cl3S/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H
InChIKey
LDZBJXAJFZJITQ-UHFFFAOYSA-N
Compound name
2,3,5-trichlorobenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

211.9021 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.90938 132.3
[M+Na]+ 234.89132 144.2
[M-H]- 210.89482 135.6
[M+NH4]+ 229.93592 153.5
[M+K]+ 250.86526 138.5
[M+H-H2O]+ 194.89936 130.5
[M+HCOO]- 256.90030 137.4
[M+CH3COO]- 270.91595 184.0
[M+Na-2H]- 232.87677 134.4
[M]+ 211.90155 136.7
[M]- 211.90265 136.7
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