CID 135400181

53411-33-9

Structural Information

Molecular Formula
C15H10Cl4N4O
SMILES
C1C(=NC2=C(C=CC(=C2)N)Cl)NN(C1=O)C3=C(C=C(C=C3Cl)Cl)Cl
InChI
InChI=1S/C15H10Cl4N4O/c16-7-3-10(18)15(11(19)4-7)23-14(24)6-13(22-23)21-12-5-8(20)1-2-9(12)17/h1-5H,6,20H2,(H,21,22)
InChIKey
LDWDFXXBUGPHRO-UHFFFAOYSA-N
Compound name
5-(5-amino-2-chlorophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

401.96088 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.96816 192.4
[M+Na]+ 424.95010 202.7
[M-H]- 400.95360 195.7
[M+NH4]+ 419.99470 203.2
[M+K]+ 440.92404 194.5
[M+H-H2O]+ 384.95814 184.6
[M+HCOO]- 446.95908 193.5
[M+CH3COO]- 460.97473 200.1
[M+Na-2H]- 422.93555 188.2
[M]+ 401.96033 191.5
[M]- 401.96143 191.5
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