CID 16226914

878465-62-4

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC(C(=O)N1CC(=O)NC2=CC=CC=C21)Cl
InChI
InChI=1S/C11H11ClN2O2/c1-7(12)11(16)14-6-10(15)13-8-4-2-3-5-9(8)14/h2-5,7H,6H2,1H3,(H,13,15)
InChIKey
WAXPDZKONOCMDU-UHFFFAOYSA-N
Compound name
4-(2-chloropropanoyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0509 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 149.0
[M+Na]+ 261.040118 157.1
[M-H]- 237.043624 149.1
[M+NH4]+ 256.084723 165.2
[M+K]+ 277.014058 152.3
[M+H-H2O]+ 221.048160 142.5
[M+HCOO]- 283.049101 160.0
[M+CH3COO]- 297.064751 187.9
[M+Na-2H]- 259.025566 152.9
[M]+ 238.05035142 147.7
[M]- 238.05144858 147.7
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.