CID 727029

2-benzoylquinoline

Structural Information

Molecular Formula
C16H11NO
SMILES
C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H11NO/c18-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17-15/h1-11H
InChIKey
RVBRBIGCROOWOI-UHFFFAOYSA-N
Compound name
phenyl(quinolin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

35
Patents

233.08406 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09134 150.9
[M+Na]+ 256.07328 158.9
[M-H]- 232.07678 157.0
[M+NH4]+ 251.11788 167.8
[M+K]+ 272.04722 154.0
[M+H-H2O]+ 216.08132 142.3
[M+HCOO]- 278.08226 172.4
[M+CH3COO]- 292.09791 163.3
[M+Na-2H]- 254.05873 159.2
[M]+ 233.08351 150.2
[M]- 233.08461 150.2
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