CID 15598987

121221-07-6

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
C1=CC=C2C(=C1)C=C(C=N2)NC(=O)CCl
InChI
InChI=1S/C11H9ClN2O/c12-6-11(15)14-9-5-8-3-1-2-4-10(8)13-7-9/h1-5,7H,6H2,(H,14,15)
InChIKey
GDGMXFPYPJHPSM-UHFFFAOYSA-N
Compound name
2-chloro-N-quinolin-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

220.04034 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 144.0
[M+Na]+ 243.02956 152.9
[M-H]- 219.03306 147.1
[M+NH4]+ 238.07416 162.7
[M+K]+ 259.00350 148.1
[M+H-H2O]+ 203.03760 137.6
[M+HCOO]- 265.03854 162.4
[M+CH3COO]- 279.05419 188.5
[M+Na-2H]- 241.01501 152.5
[M]+ 220.03979 145.7
[M]- 220.04089 145.7
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