CID 4477

Niclosamide

Structural Information

Molecular Formula
C13H8Cl2N2O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
InChIKey
RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Compound name
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1192
References

21473
Patents

325.9861 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.99338 166.3
[M+Na]+ 348.97532 181.6
[M+NH4]+ 344.01992 173.8
[M+K]+ 364.94926 177.1
[M-H]- 324.97882 171.1
[M+Na-2H]- 346.96077 173.7
[M]+ 325.98555 170.3
[M]- 325.98665 170.3
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