CID 89808

Stauffer r-10043

Structural Information

Molecular Formula
C9H7Cl5FNO2S2
SMILES
CS(=O)(=O)N(C1=CC=C(C=C1)Cl)SC(C(F)(Cl)Cl)(Cl)Cl
InChI
InChI=1S/C9H7Cl5FNO2S2/c1-20(17,18)16(7-4-2-6(10)3-5-7)19-9(13,14)8(11,12)15/h2-5H,1H3
InChIKey
IPKJONDXVMXMBQ-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-N-(1,1,2,2-tetrachloro-2-fluoroethyl)sulfanylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.83447 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.84175 178.7
[M+Na]+ 441.82369 185.0
[M-H]- 417.82719 179.1
[M+NH4]+ 436.86829 190.3
[M+K]+ 457.79763 180.3
[M+H-H2O]+ 401.83173 175.9
[M+HCOO]- 463.83267 164.9
[M+CH3COO]- 477.84832 218.3
[M+Na-2H]- 439.80914 178.2
[M]+ 418.83392 180.3
[M]- 418.83502 180.3
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

No patent data available for this compound.