CID 44153761

Methanesulfonamide, 1-chloro-n-(2,3,4,5-tetrachloro-6-(2,4-dichlorophenoxy)phenyl)-, sodium salt

Structural Information

Molecular Formula
C13H6Cl7NO3S
SMILES
CS(=O)(=O)N(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C13H6Cl7NO3S/c1-25(22,23)21(20)12-10(18)8(16)9(17)11(19)13(12)24-7-3-2-5(14)4-6(7)15/h2-4H,1H3
InChIKey
UTMODBNXYUAMEB-UHFFFAOYSA-N
Compound name
N-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

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.79610 200.1
[M+Na]+ 523.77804 207.0
[M-H]- 499.78154 199.3
[M+NH4]+ 518.82264 207.3
[M+K]+ 539.75198 205.7
[M+H-H2O]+ 483.78608 197.4
[M+HCOO]- 545.78702 184.7
[M+CH3COO]- 559.80267 235.1
[M+Na-2H]- 521.76349 193.0
[M]+ 500.78827 200.2
[M]- 500.78937 200.2
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

No patent data available for this compound.