CID 57353980

Ns00001872

Structural Information

Molecular Formula
C13H8Cl5NO3S
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C=C2NS(=O)(=O)CCl)Cl)Cl
InChI
InChI=1S/C13H8Cl5NO3S/c14-6-23(20,21)19-11-4-8(16)9(17)5-13(11)22-12-2-1-7(15)3-10(12)18/h1-5,19H,6H2
InChIKey
SSDAVCCIXBPIFL-UHFFFAOYSA-N
Compound name
1-chloro-N-[4,5-dichloro-2-(2,4-dichlorophenoxy)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.86676 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.87404 184.9
[M+Na]+ 455.85598 194.4
[M-H]- 431.85948 187.7
[M+NH4]+ 450.90058 196.1
[M+K]+ 471.82992 188.9
[M+H-H2O]+ 415.86402 181.9
[M+HCOO]- 477.86496 179.0
[M+CH3COO]- 491.88061 221.3
[M+Na-2H]- 453.84143 183.5
[M]+ 432.86621 189.7
[M]- 432.86731 189.7
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.