CID 21118695

6407-75-6

Structural Information

Molecular Formula
C16H12Cl2N4O
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)Cl)Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H12Cl2N4O/c1-10-15(20-19-14-9-11(17)7-8-13(14)18)16(23)22(21-10)12-5-3-2-4-6-12/h2-9,15H,1H3
InChIKey
SYIDJAUAPDQFRN-UHFFFAOYSA-N
Compound name
4-[(2,5-dichlorophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

346.03882 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.04610 180.7
[M+Na]+ 369.02804 191.8
[M-H]- 345.03154 190.2
[M+NH4]+ 364.07264 195.2
[M+K]+ 385.00198 185.0
[M+H-H2O]+ 329.03608 170.7
[M+HCOO]- 391.03702 197.8
[M+CH3COO]- 405.05267 192.5
[M+Na-2H]- 367.01349 182.7
[M]+ 346.03827 185.7
[M]- 346.03937 185.7
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