CID 383500

Nsc671885

Structural Information

Molecular Formula
C10H4F4N2OS
SMILES
C1CN2C(=O)C3=C(C(=C(C(=C3SC2=N1)F)F)F)F
InChI
InChI=1S/C10H4F4N2OS/c11-4-3-8(7(14)6(13)5(4)12)18-10-15-1-2-16(10)9(3)17/h1-2H2
InChIKey
XAUUAHZXDUBTFR-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrafluoro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.99805 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00533 150.6
[M+Na]+ 298.98727 164.5
[M-H]- 274.99077 149.4
[M+NH4]+ 294.03187 169.5
[M+K]+ 314.96121 158.6
[M+H-H2O]+ 258.99531 141.4
[M+HCOO]- 320.99625 160.9
[M+CH3COO]- 335.01190 162.6
[M+Na-2H]- 296.97272 150.4
[M]+ 275.99750 149.0
[M]- 275.99860 149.0
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.