CID 482198

Chembl115114

Structural Information

Molecular Formula
C23H13BrCl3NO3
SMILES
C1=CC=C2C(=C1)C=CC(=C2Cl)OC3=C(C=C(C=C3)Cl)NC(=O)C4=C(C(=CC(=C4)Cl)Br)O
InChI
InChI=1S/C23H13BrCl3NO3/c24-17-10-14(26)9-16(22(17)29)23(30)28-18-11-13(25)6-8-19(18)31-20-7-5-12-3-1-2-4-15(12)21(20)27/h1-11,29H,(H,28,30)
InChIKey
UICKPIYIRFGAGL-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-N-[5-chloro-2-(1-chloronaphthalen-2-yl)oxyphenyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

534.9144 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.92168 206.0
[M+Na]+ 557.90362 219.1
[M-H]- 533.90712 215.9
[M+NH4]+ 552.94822 217.6
[M+K]+ 573.87756 204.6
[M+H-H2O]+ 517.91166 204.9
[M+HCOO]- 579.91260 210.8
[M+CH3COO]- 593.92825 216.3
[M+Na-2H]- 555.88907 207.7
[M]+ 534.91385 229.5
[M]- 534.91495 229.5
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

No patent data available for this compound.