CID 287104

1-phenyl-2-(pyridin-4-yl)ethanone

Structural Information

Molecular Formula
C13H11NO
SMILES
C1=CC=C(C=C1)C(=O)CC2=CC=NC=C2
InChI
InChI=1S/C13H11NO/c15-13(12-4-2-1-3-5-12)10-11-6-8-14-9-7-11/h1-9H,10H2
InChIKey
ACULMSXMKICJIS-UHFFFAOYSA-N
Compound name
1-phenyl-2-pyridin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

183
Patents

197.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09134 142.0
[M+Na]+ 220.07328 149.1
[M-H]- 196.07678 147.1
[M+NH4]+ 215.11788 159.4
[M+K]+ 236.04722 145.6
[M+H-H2O]+ 180.08132 134.0
[M+HCOO]- 242.08226 164.9
[M+CH3COO]- 256.09791 183.8
[M+Na-2H]- 218.05873 149.6
[M]+ 197.08351 141.3
[M]- 197.08461 141.3
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