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
2
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]+ 293.975536 146.9
[M+Na]+ 315.957478 155.0
[M-H]- 291.960984 136.1
[M+NH4]+ 311.002083 161.9
[M+K]+ 331.931418 152.3
[M+H-H2O]+ 275.965520 135.1
[M+HCOO]- 337.966461 149.7
[M+CH3COO]- 351.982111 199.5
[M+Na-2H]- 313.942926 145.8
[M]+ 292.96771142 136.1
[M]- 292.96880858 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.