CID 16770

Chlorfensulfide

Structural Information

Molecular Formula
C12H6Cl4N2S
SMILES
C1=CC(=CC=C1SN=NC2=CC(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl4N2S/c13-7-1-3-8(4-2-7)19-18-17-12-6-10(15)9(14)5-11(12)16/h1-6H
InChIKey
JKVBWACRUUUEAR-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)sulfanyl-(2,4,5-trichlorophenyl)diazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4691
Patents

349.90057 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.90785 172.6
[M+Na]+ 372.88979 183.1
[M-H]- 348.89329 178.9
[M+NH4]+ 367.93439 188.3
[M+K]+ 388.86373 176.5
[M+H-H2O]+ 332.89783 167.9
[M+HCOO]- 394.89877 176.3
[M+CH3COO]- 408.91442 183.2
[M+Na-2H]- 370.87524 173.2
[M]+ 349.90002 178.3
[M]- 349.90112 178.3
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