CID 281442

64573-75-7

Structural Information

Molecular Formula
C16H16Cl2O4S4
SMILES
C1=CC(=CC=C1S(=O)(=O)SCCCCSS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H16Cl2O4S4/c17-13-3-7-15(8-4-13)25(19,20)23-11-1-2-12-24-26(21,22)16-9-5-14(18)6-10-16/h3-10H,1-2,11-12H2
InChIKey
QCNGWZHGHASCOX-UHFFFAOYSA-N
Compound name
1-chloro-4-[4-(4-chlorophenyl)sulfonylsulfanylbutylsulfanylsulfonyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.93085 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.93813 201.9
[M+Na]+ 492.92007 209.0
[M-H]- 468.92357 206.0
[M+NH4]+ 487.96467 211.2
[M+K]+ 508.89401 197.6
[M+H-H2O]+ 452.92811 196.9
[M+HCOO]- 514.92905 193.7
[M+CH3COO]- 528.94470 221.2
[M+Na-2H]- 490.90552 203.9
[M]+ 469.93030 205.8
[M]- 469.93140 205.8
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.