CID 4053710

N-(2,3,4,5,6-pentachlorophenyl)sulfanylbenzenesulfonamide

Structural Information

Molecular Formula
C12H6Cl5NO2S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)NSC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H6Cl5NO2S2/c13-7-8(14)10(16)12(11(17)9(7)15)21-18-22(19,20)6-4-2-1-3-5-6/h1-5,18H
InChIKey
AKQNJXOVPJULNN-UHFFFAOYSA-N
Compound name
N-(2,3,4,5,6-pentachlorophenyl)sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.82825 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.83553 182.7
[M+Na]+ 457.81747 191.6
[M-H]- 433.82097 185.7
[M+NH4]+ 452.86207 193.9
[M+K]+ 473.79141 185.3
[M+H-H2O]+ 417.82551 180.6
[M+HCOO]- 479.82645 172.2
[M+CH3COO]- 493.84210 220.4
[M+Na-2H]- 455.80292 180.3
[M]+ 434.82770 185.8
[M]- 434.82880 185.8
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.