CID 9887803

Sb-332235

Structural Information

Molecular Formula
C13H10Cl3N3O4S
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)O
InChI
InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
InChIKey
WTLRWOHEKQGKDS-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

79
Patents

408.94577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.95305 189.8
[M+Na]+ 431.93499 201.1
[M+NH4]+ 426.97959 195.3
[M+K]+ 447.90893 193.7
[M-H]- 407.93849 191.9
[M+Na-2H]- 429.92044 194.6
[M]+ 408.94522 193.0
[M]- 408.94632 193.0
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