CID 138395058

Sodium 1,4',5'-trichloro-2'-(2,4,5-trichlorophenoxy)methanesulfonanilide

Structural Information

Molecular Formula
C14H10Cl5NO3S
SMILES
CC1=CC(=C(C=C1OC2=CC(=C(C=C2NS(=O)(=O)CCl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl5NO3S/c1-7-2-8(16)10(18)4-13(7)23-14-5-11(19)9(17)3-12(14)20-24(21,22)6-15/h2-5,20H,6H2,1H3
InChIKey
LXCRXHQKQUMPDG-UHFFFAOYSA-N
Compound name
1-chloro-N-[4,5-dichloro-2-(4,5-dichloro-2-methylphenoxy)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

446.88242 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.88970 188.8
[M+Na]+ 469.87164 198.5
[M-H]- 445.87514 191.8
[M+NH4]+ 464.91624 199.7
[M+K]+ 485.84558 193.1
[M+H-H2O]+ 429.87968 185.9
[M+HCOO]- 491.88062 182.6
[M+CH3COO]- 505.89627 224.9
[M+Na-2H]- 467.85709 186.4
[M]+ 446.88187 194.2
[M]- 446.88297 194.2
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.