CID 138396397

Dtxsid90896393

Structural Information

Molecular Formula
C10H4F7NOS
SMILES
C1=CC2=C(C=C1C(C(F)(F)F)(C(F)(F)F)F)SC(=O)N2
InChI
InChI=1S/C10H4F7NOS/c11-8(9(12,13)14,10(15,16)17)4-1-2-5-6(3-4)20-7(19)18-5/h1-3H,(H,18,19)
InChIKey
HXHVTGAPDFOURG-UHFFFAOYSA-N
Compound name
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.99017 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.99745 175.8
[M+Na]+ 341.97939 179.2
[M+NH4]+ 337.02399 177.0
[M+K]+ 357.95333 175.9
[M-H]- 317.98289 168.1
[M+Na-2H]- 339.96484 174.9
[M]+ 318.98962 174.0
[M]- 318.99072 174.0
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

patents stripe