CID 6297637

86710-21-6

Structural Information

Molecular Formula
C15H9Cl2NO3
SMILES
C1=CC(=CC=C1C(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H9Cl2NO3/c16-13-7-1-10(9-14(13)17)2-8-15(19)11-3-5-12(6-4-11)18(20)21/h1-9H/b8-2+
InChIKey
VBSFJEXNLVCUPB-KRXBUXKQSA-N
Compound name
(E)-3-(3,4-dichlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.99594 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.00322 167.2
[M+Na]+ 343.98516 184.0
[M+NH4]+ 339.02976 175.6
[M+K]+ 359.95910 177.6
[M-H]- 319.98866 172.4
[M+Na-2H]- 341.97061 175.6
[M]+ 320.99539 171.7
[M]- 320.99649 171.7
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

patents stripe