CID 16226914

4-(2-chloropropanoyl)-1,2,3,4-tetrahydroquinoxalin-2-one

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]+ 239.05818 149.0
[M+Na]+ 261.04012 157.1
[M-H]- 237.04362 149.1
[M+NH4]+ 256.08472 165.2
[M+K]+ 277.01406 152.3
[M+H-H2O]+ 221.04816 142.5
[M+HCOO]- 283.04910 160.0
[M+CH3COO]- 297.06475 187.9
[M+Na-2H]- 259.02557 152.9
[M]+ 238.05035 147.7
[M]- 238.05145 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.