CID 121814

Dtxsid40884669

Structural Information

Molecular Formula
C16H11Cl2N5O3
SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H11Cl2N5O3/c1-9-15(20-19-12-4-2-3-5-13(12)23(25)26)16(24)22(21-9)14-8-10(17)6-7-11(14)18/h2-8,15H,1H3
InChIKey
GUOHODXWACDJHL-UHFFFAOYSA-N
Compound name
2-(2,5-dichlorophenyl)-5-methyl-4-[(2-nitrophenyl)diazenyl]-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0239 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.03118 192.0
[M+Na]+ 414.01312 200.6
[M-H]- 390.01662 201.3
[M+NH4]+ 409.05772 203.3
[M+K]+ 429.98706 191.0
[M+H-H2O]+ 374.02116 186.5
[M+HCOO]- 436.02210 209.6
[M+CH3COO]- 450.03775 220.0
[M+Na-2H]- 411.99857 195.2
[M]+ 391.02335 195.7
[M]- 391.02445 195.7
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

No patent data available for this compound.