CID 154832128

2137817-93-5

Structural Information

Molecular Formula
C8H5FN2O3S
SMILES
C1=CC2=C(C=C1S(=O)(=O)F)N=CC(=O)N2
InChI
InChI=1S/C8H5FN2O3S/c9-15(13,14)5-1-2-6-7(3-5)10-4-8(12)11-6/h1-4H,(H,11,12)
InChIKey
ALGJXPNOQYUEED-UHFFFAOYSA-N
Compound name
2-oxo-1H-quinoxaline-6-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.00049 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00777 142.0
[M+Na]+ 250.98971 153.9
[M-H]- 226.99321 142.2
[M+NH4]+ 246.03431 158.5
[M+K]+ 266.96365 148.9
[M+H-H2O]+ 210.99775 135.0
[M+HCOO]- 272.99869 156.1
[M+CH3COO]- 287.01434 181.6
[M+Na-2H]- 248.97516 149.3
[M]+ 227.99994 143.2
[M]- 228.00104 143.2
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.