CID 6320216

[(1s)-1-chloroethyl] 6,7-dichloro-3-oxo-4h-quinoxaline-2-carboxylate

Structural Information

Molecular Formula
C11H7Cl3N2O3
SMILES
C[C@@H](OC(=O)C1=NC2=CC(=C(C=C2NC1=O)Cl)Cl)Cl
InChI
InChI=1S/C11H7Cl3N2O3/c1-4(12)19-11(18)9-10(17)16-8-3-6(14)5(13)2-7(8)15-9/h2-4H,1H3,(H,16,17)/t4-/m1/s1
InChIKey
LSCZSEMXVRFIPP-SCSAIBSYSA-N
Compound name
[(1S)-1-chloroethyl] 6,7-dichloro-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.95224 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.95952 156.2
[M+Na]+ 342.94146 168.0
[M-H]- 318.94496 156.0
[M+NH4]+ 337.98606 170.3
[M+K]+ 358.91540 162.1
[M+H-H2O]+ 302.94950 151.4
[M+HCOO]- 364.95044 160.0
[M+CH3COO]- 378.96609 201.4
[M+Na-2H]- 340.92691 159.3
[M]+ 319.95169 161.3
[M]- 319.95279 161.3
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.