CID 204525

Bayer 78175

Structural Information

Molecular Formula
C8H14Cl4F2N2O2S3
SMILES
CCCN(SC(F)(Cl)Cl)S(=O)(=O)N(CCC)SC(F)(Cl)Cl
InChI
InChI=1S/C8H14Cl4F2N2O2S3/c1-3-5-15(19-7(9,10)13)21(17,18)16(6-4-2)20-8(11,12)14/h3-6H2,1-2H3
InChIKey
QDEDFLURLMJDRI-UHFFFAOYSA-N
Compound name
N-[dichloro(fluoro)methyl]sulfanyl-N-[[dichloro(fluoro)methyl]sulfanyl-propylsulfamoyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.89395 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.90123 196.8
[M+Na]+ 466.88317 200.3
[M+NH4]+ 461.92777 200.7
[M+K]+ 482.85711 192.3
[M-H]- 442.88667 191.9
[M+Na-2H]- 464.86862 195.0
[M]+ 443.89340 197.5
[M]- 443.89450 197.5
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.