CID 383499

Nsc671884

Structural Information

Molecular Formula
C10H2F4N2OS
SMILES
C1=CN2C(=O)C3=C(C(=C(C(=C3SC2=N1)F)F)F)F
InChI
InChI=1S/C10H2F4N2OS/c11-4-3-8(7(14)6(13)5(4)12)18-10-15-1-2-16(10)9(3)17/h1-2H
InChIKey
PDYJWECYSBQFPG-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrafluoroimidazo[2,1-b][1,3]benzothiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9824 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98968 147.3
[M+Na]+ 296.97162 164.4
[M-H]- 272.97512 147.5
[M+NH4]+ 292.01622 166.8
[M+K]+ 312.94556 157.8
[M+H-H2O]+ 256.97966 138.2
[M+HCOO]- 318.98060 162.0
[M+CH3COO]- 332.99625 161.0
[M+Na-2H]- 294.95707 149.9
[M]+ 273.98185 150.1
[M]- 273.98295 150.1
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.