CID 5804686

63831-41-4

Structural Information

Molecular Formula
C15H10ClNO3
SMILES
C1=CC(=CC(=C1)Cl)/C=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H10ClNO3/c16-13-3-1-2-11(10-13)4-9-15(18)12-5-7-14(8-6-12)17(19)20/h1-10H/b9-4+
InChIKey
HNIRTLPJDDPNFR-RUDMXATFSA-N
Compound name
(E)-3-(3-chlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0349 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04218 163.7
[M+Na]+ 310.02412 170.9
[M-H]- 286.02762 170.1
[M+NH4]+ 305.06872 178.9
[M+K]+ 325.99806 161.4
[M+H-H2O]+ 270.03216 161.5
[M+HCOO]- 332.03310 183.7
[M+CH3COO]- 346.04875 192.7
[M+Na-2H]- 308.00957 168.6
[M]+ 287.03435 164.3
[M]- 287.03545 164.3
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.