CID 8676

4'-(p-nitrophenyl)acetophenone

Structural Information

Molecular Formula
C14H11NO3
SMILES
CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H11NO3/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(17)18/h2-9H,1H3
InChIKey
CVSGKJVJFSEPSO-UHFFFAOYSA-N
Compound name
1-[4-(4-nitrophenyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

241.0739 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 151.8
[M+Na]+ 264.06312 158.7
[M-H]- 240.06662 158.9
[M+NH4]+ 259.10772 168.2
[M+K]+ 280.03706 151.7
[M+H-H2O]+ 224.07116 149.0
[M+HCOO]- 286.07210 176.7
[M+CH3COO]- 300.08775 187.6
[M+Na-2H]- 262.04857 158.1
[M]+ 241.07335 150.7
[M]- 241.07445 150.7
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