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]+ 253.073836 152.9
[M+Na]+ 275.055778 162.8
[M-H]- 251.059284 153.5
[M+NH4]+ 270.100383 170.9
[M+K]+ 291.029718 157.6
[M+H-H2O]+ 235.063820 147.0
[M+HCOO]- 297.064761 164.6
[M+CH3COO]- 311.080411 190.7
[M+Na-2H]- 273.041226 157.8
[M]+ 252.06601142 153.2
[M]- 252.06710858 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.