CID 13206365

Ns00001628

Structural Information

Molecular Formula
C13H7Cl6NO3S
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C(=C2NS(=O)(=O)CCl)Cl)Cl)Cl
InChI
InChI=1S/C13H7Cl6NO3S/c14-5-24(21,22)20-13-10(4-8(17)11(18)12(13)19)23-9-2-1-6(15)3-7(9)16/h1-4,20H,5H2
InChIKey
DOXVXHZRXAVLKV-UHFFFAOYSA-N
Compound name
1-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

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.83508 192.5
[M+Na]+ 489.81702 200.8
[M-H]- 465.82052 193.0
[M+NH4]+ 484.86162 201.5
[M+K]+ 505.79096 196.7
[M+H-H2O]+ 449.82506 189.8
[M+HCOO]- 511.82600 181.3
[M+CH3COO]- 525.84165 227.2
[M+Na-2H]- 487.80247 188.4
[M]+ 466.82725 194.6
[M]- 466.82835 194.6
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.