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 146.9
[M+Na]+ 315.95748 155.0
[M-H]- 291.96098 136.1
[M+NH4]+ 311.00208 161.9
[M+K]+ 331.93142 152.3
[M+H-H2O]+ 275.96552 135.1
[M+HCOO]- 337.96646 149.7
[M+CH3COO]- 351.98211 199.5
[M+Na-2H]- 313.94293 145.8
[M]+ 292.96771 136.1
[M]- 292.96881 136.1
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.