CID 114527

13458-81-6

Structural Information

Molecular Formula
C16H12ClN5O3
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3
InChI
InChI=1S/C16H12ClN5O3/c1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-14-8-7-12(22(24)25)9-13(14)17/h2-9,15H,1H3
InChIKey
DQQZSKXVLOLAOF-UHFFFAOYSA-N
Compound name
4-[(2-chloro-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.06287 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07015 178.0
[M+Na]+ 380.05209 193.2
[M+NH4]+ 375.09669 185.0
[M+K]+ 396.02603 189.8
[M-H]- 356.05559 185.3
[M+Na-2H]- 378.03754 187.2
[M]+ 357.06232 182.3
[M]- 357.06342 182.3
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.