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

5
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 189.3
[M+Na]+ 418.98397 201.6
[M-H]- 394.98747 195.8
[M+NH4]+ 414.02857 201.1
[M+K]+ 434.95791 193.6
[M+H-H2O]+ 378.99201 180.9
[M+HCOO]- 440.99295 199.3
[M+CH3COO]- 455.00860 199.4
[M+Na-2H]- 416.96942 189.0
[M]+ 395.99420 194.5
[M]- 395.99530 194.5
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