CID 3146206

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

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
C1C(=O)NC2=CC=CC=C2N1C(=O)CCl
InChI
InChI=1S/C10H9ClN2O2/c11-5-10(15)13-6-9(14)12-7-3-1-2-4-8(7)13/h1-4H,5-6H2,(H,12,14)
InChIKey
RNGJPXOEWSLROI-UHFFFAOYSA-N
Compound name
4-(2-chloroacetyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

224.03525 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04253 144.9
[M+Na]+ 247.02447 153.8
[M-H]- 223.02797 145.1
[M+NH4]+ 242.06907 161.7
[M+K]+ 262.99841 148.7
[M+H-H2O]+ 207.03251 138.4
[M+HCOO]- 269.03345 157.2
[M+CH3COO]- 283.04910 184.0
[M+Na-2H]- 245.00992 150.4
[M]+ 224.03470 143.8
[M]- 224.03580 143.8
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