CID 1268283

2,4,6-trichlorobenzenesulfonamide

Structural Information

Molecular Formula
C6H4Cl3NO2S
SMILES
C1=C(C=C(C(=C1Cl)S(=O)(=O)N)Cl)Cl
InChI
InChI=1S/C6H4Cl3NO2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKey
IPAFNZVMBOZODU-UHFFFAOYSA-N
Compound name
2,4,6-trichlorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

258.90283 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.91011 145.2
[M+Na]+ 281.89205 156.8
[M-H]- 257.89555 148.4
[M+NH4]+ 276.93665 163.8
[M+K]+ 297.86599 150.7
[M+H-H2O]+ 241.90009 143.3
[M+HCOO]- 303.90103 149.9
[M+CH3COO]- 317.91668 190.5
[M+Na-2H]- 279.87750 147.4
[M]+ 258.90228 149.0
[M]- 258.90338 149.0
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