CID 13206366

Ns00010247

Structural Information

Molecular Formula
C13H6Cl7NO3S
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)NS(=O)(=O)CCl
InChI
InChI=1S/C13H6Cl7NO3S/c14-4-25(22,23)21-12-10(19)8(17)9(18)11(20)13(12)24-7-2-1-5(15)3-6(7)16/h1-3,21H,4H2
InChIKey
VVPZFZNIAYRMIO-UHFFFAOYSA-N
Compound name
1-chloro-N-[2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.78882 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.79610 201.0
[M+Na]+ 523.77804 207.9
[M-H]- 499.78154 199.1
[M+NH4]+ 518.82264 207.8
[M+K]+ 539.75198 205.6
[M+H-H2O]+ 483.78608 198.6
[M+HCOO]- 545.78702 185.2
[M+CH3COO]- 559.80267 232.8
[M+Na-2H]- 521.76349 194.3
[M]+ 500.78827 199.9
[M]- 500.78937 199.9
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.