CID 2487335

727717-71-7

Structural Information

Molecular Formula
C12H13ClN2O2
SMILES
CC1(C(=O)NC2=CC=CC=C2N1C(=O)CCl)C
InChI
InChI=1S/C12H13ClN2O2/c1-12(2)11(17)14-8-5-3-4-6-9(8)15(12)10(16)7-13/h3-6H,7H2,1-2H3,(H,14,17)
InChIKey
CZNFMSHZFNILJL-UHFFFAOYSA-N
Compound name
4-(2-chloroacetyl)-3,3-dimethyl-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.06656 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07384 152.9
[M+Na]+ 275.05578 162.8
[M-H]- 251.05928 153.5
[M+NH4]+ 270.10038 170.9
[M+K]+ 291.02972 157.6
[M+H-H2O]+ 235.06382 147.0
[M+HCOO]- 297.06476 164.6
[M+CH3COO]- 311.08041 190.7
[M+Na-2H]- 273.04123 157.8
[M]+ 252.06601 153.2
[M]- 252.06711 153.2
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.