CID 139597956

Ns00010961

Structural Information

Molecular Formula
C8H7F11O2S
SMILES
CCCS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H7F11O2S/c1-2-3-22(20,21)8(18,19)6(13,14)4(9,10)5(11,12)7(15,16)17/h2-3H2,1H3
InChIKey
XZXOYKSOUAKSCR-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-propylsulfonylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.9991 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.00638 166.0
[M+Na]+ 398.98832 174.6
[M-H]- 374.99182 153.5
[M+NH4]+ 394.03292 177.4
[M+K]+ 414.96226 171.2
[M+H-H2O]+ 358.99636 153.3
[M+HCOO]- 420.99730 164.3
[M+CH3COO]- 435.01295 213.1
[M+Na-2H]- 396.97377 168.8
[M]+ 375.99855 152.6
[M]- 375.99965 152.6
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.