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 182.0
[M+Na]+ 466.88317 185.2
[M-H]- 442.88667 179.9
[M+NH4]+ 461.92777 192.8
[M+K]+ 482.85711 179.4
[M+H-H2O]+ 426.89121 177.8
[M+HCOO]- 488.89215 167.1
[M+CH3COO]- 502.90780 227.1
[M+Na-2H]- 464.86862 180.9
[M]+ 443.89340 184.3
[M]- 443.89450 184.3
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

patents stripe