CID 19448

2-((p-chlorophenyl)azo)-1-phenyl-1,3-butanedione

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CC(=O)C(C(=O)C1=CC=CC=C1)N=NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H13ClN2O2/c1-11(20)15(16(21)12-5-3-2-4-6-12)19-18-14-9-7-13(17)8-10-14/h2-10,15H,1H3
InChIKey
QQQRUZYKCKHIGX-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)diazenyl]-1-phenylbutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

300.06656 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 167.1
[M+Na]+ 323.05578 180.5
[M+NH4]+ 318.10038 175.0
[M+K]+ 339.02972 173.0
[M-H]- 299.05928 172.4
[M+Na-2H]- 321.04123 176.4
[M]+ 300.06601 170.7
[M]- 300.06711 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.