CID 5337611

2-nitrochalcone

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C15H11NO3/c17-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)16(18)19/h1-11H/b11-10+
InChIKey
KTXHLWZQKQDFRF-ZHACJKMWSA-N
Compound name
(E)-3-(2-nitrophenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

28
Patents

253.0739 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 155.4
[M+Na]+ 276.06312 170.3
[M+NH4]+ 271.10772 163.5
[M+K]+ 292.03706 165.2
[M-H]- 252.06662 160.8
[M+Na-2H]- 274.04857 164.4
[M]+ 253.07335 159.0
[M]- 253.07445 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe