CID 135436551

Brn 0714904

Structural Information

Molecular Formula
C15H8Cl5N3O
SMILES
C1C(=NC2=C(C=C(C=C2)Cl)Cl)NN(C1=O)C3=C(C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C15H8Cl5N3O/c16-7-1-2-12(9(18)3-7)21-13-6-14(24)23(22-13)15-10(19)4-8(17)5-11(15)20/h1-5H,6H2,(H,21,22)
InChIKey
SFHFZFPJBHUPNX-UHFFFAOYSA-N
Compound name
5-(2,4-dichlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

420.911 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.91828 194.4
[M+Na]+ 443.90022 204.2
[M-H]- 419.90372 195.6
[M+NH4]+ 438.94482 204.0
[M+K]+ 459.87416 197.0
[M+H-H2O]+ 403.90826 186.3
[M+HCOO]- 465.90920 189.2
[M+CH3COO]- 479.92485 200.7
[M+Na-2H]- 441.88567 188.8
[M]+ 420.91045 192.9
[M]- 420.91155 192.9
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

patents stripe