CID 13301747

2-chloro-3-acetylquinoline

Structural Information

Molecular Formula
C11H8ClNO
SMILES
CC(=O)C1=CC2=CC=CC=C2N=C1Cl
InChI
InChI=1S/C11H8ClNO/c1-7(14)9-6-8-4-2-3-5-10(8)13-11(9)12/h2-6H,1H3
InChIKey
YNCAAPUPTPBSNH-UHFFFAOYSA-N
Compound name
1-(2-chloroquinolin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

205.02943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.03671 139.1
[M+Na]+ 228.01865 149.8
[M-H]- 204.02215 142.7
[M+NH4]+ 223.06325 159.1
[M+K]+ 243.99259 145.1
[M+H-H2O]+ 188.02669 133.3
[M+HCOO]- 250.02763 156.5
[M+CH3COO]- 264.04328 185.5
[M+Na-2H]- 226.00410 146.6
[M]+ 205.02888 142.0
[M]- 205.02998 142.0
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