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 171.9
[M+Na]+ 407.86269 178.8
[M-H]- 383.86619 173.7
[M+NH4]+ 402.90729 185.3
[M+K]+ 423.83663 173.4
[M+H-H2O]+ 367.87073 168.5
[M+HCOO]- 429.87167 163.0
[M+CH3COO]- 443.88732 212.1
[M+Na-2H]- 405.84814 173.6
[M]+ 384.87292 175.2
[M]- 384.87402 175.2
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