CID 59337

Sc. 121

Structural Information

Molecular Formula
C20H11Cl5N2O3
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=O)C2=CC(=C(C(=C2)Cl)O)C(=O)NC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H11Cl5N2O3/c21-10-1-3-16(13(23)7-10)26-19(29)9-5-12(18(28)15(25)6-9)20(30)27-17-4-2-11(22)8-14(17)24/h1-8,28H,(H,26,29)(H,27,30)
InChIKey
PGLHDBZVFCHRLZ-UHFFFAOYSA-N
Compound name
5-chloro-1-N,3-N-bis(2,4-dichlorophenyl)-4-hydroxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.92123 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.92851 202.9
[M+Na]+ 524.91045 211.5
[M-H]- 500.91395 206.4
[M+NH4]+ 519.95505 210.3
[M+K]+ 540.88439 205.5
[M+H-H2O]+ 484.91849 198.1
[M+HCOO]- 546.91943 200.4
[M+CH3COO]- 560.93508 237.3
[M+Na-2H]- 522.89590 198.9
[M]+ 501.92068 205.9
[M]- 501.92178 205.9
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.