CID 135998484

Ferrate(1-), bis(4-(2-(5-chloro-2-(hydroxy-kappao)phenyl)diazenyl-kappan1)-2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3h-pyrazol-3-onato(2-)-kappao3)-, hydrogen (1:1)

Structural Information

Molecular Formula
C16H11Cl3N4O2
SMILES
CC1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)N=NC3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C16H11Cl3N4O2/c1-8-15(21-20-13-6-9(17)2-5-14(13)24)16(25)23(22-8)10-3-4-11(18)12(19)7-10/h2-7,22,24H,1H3
InChIKey
PGZPPRHXCXXQAS-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-hydroxyphenyl)diazenyl]-2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

395.99475 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.00203 187.3
[M+Na]+ 418.98397 203.6
[M+NH4]+ 414.02857 194.2
[M+K]+ 434.95791 196.4
[M-H]- 394.98747 192.2
[M+Na-2H]- 416.96942 195.5
[M]+ 395.99420 191.9
[M]- 395.99530 191.9
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