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

0
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]+ 301.073836 167.8
[M+Na]+ 323.055778 174.3
[M-H]- 299.059284 176.8
[M+NH4]+ 318.100383 183.8
[M+K]+ 339.029718 170.6
[M+H-H2O]+ 283.063820 159.8
[M+HCOO]- 345.064761 190.0
[M+CH3COO]- 359.080411 211.2
[M+Na-2H]- 321.041226 171.5
[M]+ 300.06601142 171.4
[M]- 300.06710858 171.4
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.