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 149.3
[M+Na]+ 261.04012 162.1
[M+NH4]+ 256.08472 156.7
[M+K]+ 277.01406 156.2
[M-H]- 237.04362 149.5
[M+Na-2H]- 259.02557 153.6
[M]+ 238.05035 151.2
[M]- 238.05145 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.