CID 4983738

2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClN2O4S
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)NC(=O)C(=O)N2
InChI
InChI=1S/C8H5ClN2O4S/c9-16(14,15)4-1-2-5-6(3-4)11-8(13)7(12)10-5/h1-3H,(H,10,12)(H,11,13)
InChIKey
VJHXFHCNOUEKQY-UHFFFAOYSA-N
Compound name
2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

259.96585 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.97313 147.3
[M+Na]+ 282.95507 160.0
[M-H]- 258.95857 147.9
[M+NH4]+ 277.99967 162.8
[M+K]+ 298.92901 153.4
[M+H-H2O]+ 242.96311 142.5
[M+HCOO]- 304.96405 156.6
[M+CH3COO]- 318.97970 183.1
[M+Na-2H]- 280.94052 153.9
[M]+ 259.96530 150.7
[M]- 259.96640 150.7
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

patents stripe