CID 3074001

154371-22-9

Structural Information

Molecular Formula
C16H8ClFN4OS
SMILES
C1=CC=C2C(=C1)N=C3C(=N2)SC(=NC3=O)NC4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C16H8ClFN4OS/c17-9-7-8(5-6-10(9)18)19-16-22-14(23)13-15(24-16)21-12-4-2-1-3-11(12)20-13/h1-7H,(H,19,22,23)
InChIKey
LGWIRMGLZJAEFB-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-fluoroanilino)-[1,3]thiazino[5,6-b]quinoxalin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.00912 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.01640 174.2
[M+Na]+ 380.99834 188.6
[M-H]- 357.00184 178.6
[M+NH4]+ 376.04294 186.6
[M+K]+ 396.97228 179.5
[M+H-H2O]+ 341.00638 164.3
[M+HCOO]- 403.00732 185.5
[M+CH3COO]- 417.02297 185.4
[M+Na-2H]- 378.98379 182.1
[M]+ 358.00857 179.9
[M]- 358.00967 179.9
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.