CID 89809

22729-75-5

Structural Information

Molecular Formula
C9H8Cl4FNO2S2
SMILES
CS(=O)(=O)N(C1=CC=CC=C1)SC(C(F)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C9H8Cl4FNO2S2/c1-19(16,17)15(7-5-3-2-4-6-7)18-9(12,13)8(10,11)14/h2-6H,1H3
InChIKey
SVIKNKPDPGCMAE-UHFFFAOYSA-N
Compound name
N-phenyl-N-(1,1,2,2-tetrachloro-2-fluoroethyl)sulfanylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

384.87347 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.88075 189.1
[M+Na]+ 407.86269 198.2
[M+NH4]+ 402.90729 195.3
[M+K]+ 423.83663 189.2
[M-H]- 383.86619 187.3
[M+Na-2H]- 405.84814 192.0
[M]+ 384.87292 191.6
[M]- 384.87402 191.6
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