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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.10700	153.0
[M+Na]+	258.08894	169.2
[M+NH4]+	253.13354	162.9
[M+K]+	274.06288	160.2
[M-H]-	234.09244	158.5
[M+Na-2H]-	256.07439	163.3
[M]+	235.09917	157.1
[M]-	235.10027	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe