CID 3438626

1-(benzo[f]quinolin-2-yl)ethanone

Structural Information

Molecular Formula
C15H11NO
SMILES
CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)N=C1
InChI
InChI=1S/C15H11NO/c1-10(17)12-8-14-13-5-3-2-4-11(13)6-7-15(14)16-9-12/h2-9H,1H3
InChIKey
DAHZLHKTRJVJPP-UHFFFAOYSA-N
Compound name
1-benzo[f]quinolin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09134 146.6
[M+Na]+ 244.07328 164.2
[M+NH4]+ 239.11788 156.9
[M+K]+ 260.04722 155.1
[M-H]- 220.07678 150.9
[M+Na-2H]- 242.05873 156.1
[M]+ 221.08351 150.6
[M]- 221.08461 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.