CID 6306682

(2e)-3-(2-chlorophenyl)-1-(3-nitrophenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C15H10ClNO3
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H10ClNO3/c16-14-7-2-1-4-11(14)8-9-15(18)12-5-3-6-13(10-12)17(19)20/h1-10H/b9-8+
InChIKey
ZIFXJSFXGSBSJL-CMDGGOBGSA-N
Compound name
(E)-3-(2-chlorophenyl)-1-(3-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 161.1
[M+Na]+ 310.02412 177.2
[M+NH4]+ 305.06872 169.4
[M+K]+ 325.99806 171.3
[M-H]- 286.02762 166.5
[M+Na-2H]- 308.00957 170.0
[M]+ 287.03435 165.2
[M]- 287.03545 165.2
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.