CID 166001338

Structural Information

Molecular Formula
C6H2F9OS
SMILES
[CH2]S/C(=C(/OC(C(C(F)(F)F)(F)F)(F)F)\F)/F
InChI
InChI=1S/C6H2F9OS/c1-17-3(8)2(7)16-6(14,15)4(9,10)5(11,12)13/h1H2/b3-2+
InChIKey
KRXBVVQHPXKQNV-NSCUHMNNSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.96826 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.97554 183.3
[M+Na]+ 315.95748 183.9
[M+NH4]+ 311.00208 182.9
[M+K]+ 331.93142 180.7
[M-H]- 291.96098 175.2
[M+Na-2H]- 313.94293 179.9
[M]+ 292.96771 180.9
[M]- 292.96881 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.