CID 31475

Rafoxanide

Structural Information

Molecular Formula
C19H11Cl2I2NO3
SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)NC(=O)C3=C(C(=CC(=C3)I)I)O)Cl)Cl
InChI
InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)
InChIKey
NEMNPWINWMHUMR-UHFFFAOYSA-N
Compound name
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodobenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

151
References

8358
Patents

624.82056 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.82784 209.4
[M+Na]+ 647.80978 204.1
[M-H]- 623.81328 204.1
[M+NH4]+ 642.85438 211.0
[M+K]+ 663.78372 209.3
[M+H-H2O]+ 607.81782 195.7
[M+HCOO]- 669.81876 212.2
[M+CH3COO]- 683.83441 235.3
[M+Na-2H]- 645.79523 192.4
[M]+ 624.82001 207.8
[M]- 624.82111 207.8
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