CID 99682

1-benzoyl-1,2-dihydroquinoline

Structural Information

Molecular Formula
C16H13NO
SMILES
C1C=CC2=CC=CC=C2N1C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13NO/c18-16(14-8-2-1-3-9-14)17-12-6-10-13-7-4-5-11-15(13)17/h1-11H,12H2
InChIKey
RSIOYTUKUFAJPC-UHFFFAOYSA-N
Compound name
phenyl(2H-quinolin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

235.09972 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 152.2
[M+Na]+ 258.08894 159.3
[M-H]- 234.09244 158.0
[M+NH4]+ 253.13354 169.1
[M+K]+ 274.06288 154.6
[M+H-H2O]+ 218.09698 143.6
[M+HCOO]- 280.09792 172.4
[M+CH3COO]- 294.11357 164.2
[M+Na-2H]- 256.07439 159.5
[M]+ 235.09917 150.1
[M]- 235.10027 150.1
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