CID 215901

Benzenesulfonamide, 2,3,5-trichloro-6-hydroxy-n-(2,4,5-trichlorophenyl)-

Structural Information

Molecular Formula
C12H5Cl6NO3S
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)NS(=O)(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O
InChI
InChI=1S/C12H5Cl6NO3S/c13-4-1-6(15)9(3-5(4)14)19-23(21,22)12-10(18)7(16)2-8(17)11(12)20/h1-3,19-20H
InChIKey
BRIBVGQUGLPPAX-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-6-hydroxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

452.81213 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.81941 187.1
[M+Na]+ 475.80135 196.0
[M-H]- 451.80485 186.9
[M+NH4]+ 470.84595 196.2
[M+K]+ 491.77529 191.6
[M+H-H2O]+ 435.80939 185.5
[M+HCOO]- 497.81033 175.1
[M+CH3COO]- 511.82598 224.1
[M+Na-2H]- 473.78680 182.8
[M]+ 452.81158 187.8
[M]- 452.81268 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe