CID 20397538

Dtxsid90895947

Structural Information

Molecular Formula
C12H7F17O2S
SMILES
C=CS(=O)(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F17O2S/c1-2-32(30,31)4-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3-4H2
InChIKey
RGCCJICFTWQWSZ-UHFFFAOYSA-N
Compound name
10-ethenylsulfonyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

537.9895 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.99678 177.1
[M+Na]+ 560.97872 181.5
[M-H]- 536.98222 183.2
[M+NH4]+ 556.02332 187.3
[M+K]+ 576.95266 191.0
[M+H-H2O]+ 520.98676 165.4
[M+HCOO]- 582.98770 198.2
[M+CH3COO]- 597.00335 239.9
[M+Na-2H]- 558.96417 175.5
[M]+ 537.98895 179.0
[M]- 537.99005 179.0
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