CID 44146937

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

Structural Information

Molecular Formula
C13H7Cl6NO3S
SMILES
CS(=O)(=O)N(C1=C(C(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl6NO3S/c1-24(21,22)20(19)13-10(5-8(16)11(17)12(13)18)23-9-3-2-6(14)4-7(9)15/h2-5H,1H3
InChIKey
PVDDZNWMVPGQLE-UHFFFAOYSA-N
Compound name
N-chloro-N-[2,3,4-trichloro-6-(2,4-dichlorophenoxy)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.8278 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.83508 191.5
[M+Na]+ 489.81702 199.9
[M-H]- 465.82052 193.3
[M+NH4]+ 484.86162 201.0
[M+K]+ 505.79096 196.9
[M+H-H2O]+ 449.82506 188.7
[M+HCOO]- 511.82600 180.8
[M+CH3COO]- 525.84165 229.8
[M+Na-2H]- 487.80247 187.1
[M]+ 466.82725 194.9
[M]- 466.82835 194.9
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.