CID 491329

7,8-dichloro-3-isopropyl-1h-quinoxalin-2-one

Structural Information

Molecular Formula
C11H10Cl2N2O
SMILES
CC(C)C1=NC2=C(C(=C(C=C2)Cl)Cl)NC1=O
InChI
InChI=1S/C11H10Cl2N2O/c1-5(2)9-11(16)15-10-7(14-9)4-3-6(12)8(10)13/h3-5H,1-2H3,(H,15,16)
InChIKey
DFBOWAJGBGZYFP-UHFFFAOYSA-N
Compound name
7,8-dichloro-3-propan-2-yl-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.01703 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02431 149.3
[M+Na]+ 279.00625 161.6
[M-H]- 255.00975 149.9
[M+NH4]+ 274.05085 166.1
[M+K]+ 294.98019 154.8
[M+H-H2O]+ 239.01429 143.8
[M+HCOO]- 301.01523 158.6
[M+CH3COO]- 315.03088 192.7
[M+Na-2H]- 276.99170 154.1
[M]+ 256.01648 152.6
[M]- 256.01758 152.6
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

No patent data available for this compound.