CID 886296

4-chlorophenyl 2-chloro-4-nitrophenyl ketone

Structural Information

Molecular Formula
C13H7Cl2NO3
SMILES
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C13H7Cl2NO3/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16(18)19)7-12(11)15/h1-7H
InChIKey
FNWMOVINSBBOQA-UHFFFAOYSA-N
Compound name
(2-chloro-4-nitrophenyl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

294.9803 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.98758 161.1
[M+Na]+ 317.96952 169.6
[M-H]- 293.97302 167.1
[M+NH4]+ 313.01412 176.6
[M+K]+ 333.94346 160.3
[M+H-H2O]+ 277.97756 160.2
[M+HCOO]- 339.97850 176.4
[M+CH3COO]- 353.99415 194.0
[M+Na-2H]- 315.95497 165.5
[M]+ 294.97975 163.5
[M]- 294.98085 163.5
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