CID 9554251

Denver research center no. drc-4575

Structural Information

Molecular Formula
C13H10Cl3N3O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C(C(=C(C=C2Cl)Cl)N)Cl
InChI
InChI=1S/C13H10Cl3N3O2S/c14-10-6-11(15)13(17)12(16)9(10)7-18-19-22(20,21)8-4-2-1-3-5-8/h1-7,19H,17H2/b18-7+
InChIKey
LPPKDXFUWWZCAY-CNHKJKLMSA-N
Compound name
N-[(E)-(3-amino-2,4,6-trichlorophenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.95593 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.96321 181.2
[M+Na]+ 399.94515 191.2
[M-H]- 375.94865 187.9
[M+NH4]+ 394.98975 195.1
[M+K]+ 415.91909 183.7
[M+H-H2O]+ 359.95319 176.3
[M+HCOO]- 421.95413 188.7
[M+CH3COO]- 435.96978 218.2
[M+Na-2H]- 397.93060 183.2
[M]+ 376.95538 186.0
[M]- 376.95648 186.0
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.