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

14
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 166.9
[M+Na]+ 375.85644 174.8
[M-H]- 351.85994 170.0
[M+NH4]+ 370.90104 181.8
[M+K]+ 391.83038 169.5
[M+H-H2O]+ 335.86448 164.7
[M+HCOO]- 397.86542 160.3
[M+CH3COO]- 411.88107 207.2
[M+Na-2H]- 373.84189 167.6
[M]+ 352.86667 171.4
[M]- 352.86777 171.4
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