CID 138396355

Dtxsid60895757

Structural Information

Molecular Formula
C8H12F9NOSSn
SMILES
CN(S(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)[Sn](C)(C)C
InChI
InChI=1S/C5H3F9NOS.3CH3.Sn/c1-15-17(16)5(13,14)3(8,9)2(6,7)4(10,11)12;;;;/h1H3;3*1H3;/q-1;;;;+1
InChIKey
RHDCGRXGQIUPMP-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-trimethylstannylbutane-1-sulfinamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

460.95178 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.95906 183.5
[M+Na]+ 483.94100 189.6
[M-H]- 459.94450 173.3
[M+NH4]+ 478.98560 195.4
[M+K]+ 499.91494 187.5
[M+H-H2O]+ 443.94904 170.5
[M+HCOO]- 505.94998 183.7
[M+CH3COO]- 519.96563 221.0
[M+Na-2H]- 481.92645 182.5
[M]+ 460.95123 173.3
[M]- 460.95233 173.3
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.