CID 2782371

883499-32-9

Structural Information

Molecular Formula
C8H2F16O3S
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F16O3S/c9-2(10,3(11,12)6(17,18)19)1-27-28(25,26)8(23,24)5(15,16)4(13,14)7(20,21)22/h1H2
InChIKey
TXGIYYDHRSACPQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

481.94693 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.954206 161.7
[M+Na]+ 504.936148 166.2
[M-H]- 480.939654 167.1
[M+NH4]+ 499.980753 171.3
[M+K]+ 520.910088 173.2
[M+H-H2O]+ 464.944190 151.7
[M+HCOO]- 526.945131 183.6
[M+CH3COO]- 540.960781 229.1
[M+Na-2H]- 502.921596 160.8
[M]+ 481.94638142 163.3
[M]- 481.94747858 163.3
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

patents stripe