CID 198965

Mesulfon (e)

Structural Information

Molecular Formula
C8H7Cl4NO2S2
SMILES
CS(=O)(=O)N(C1=CC=C(C=C1)Cl)SC(Cl)(Cl)Cl
InChI
InChI=1S/C8H7Cl4NO2S2/c1-17(14,15)13(16-8(10,11)12)7-4-2-6(9)3-5-7/h2-5H,1H3
InChIKey
IPCRTPZFAGFLMA-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-N-(trichloromethylsulfanyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

352.86722 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.87450 187.2
[M+Na]+ 375.85644 198.2
[M+NH4]+ 370.90104 194.5
[M+K]+ 391.83038 187.9
[M-H]- 351.85994 187.4
[M+Na-2H]- 373.84189 190.4
[M]+ 352.86667 190.7
[M]- 352.86777 190.7
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