CID 67816

1-pentanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-

Structural Information

Molecular Formula
C5F12O2S
SMILES
C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F
InChI
InChI=1S/C5F12O2S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19
InChIKey
USAIUDWRPJQRTG-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

29
Patents

351.94275 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.95003 156.0
[M+Na]+ 374.93197 165.8
[M-H]- 350.93547 143.0
[M+NH4]+ 369.97657 168.1
[M+K]+ 390.90591 162.7
[M+H-H2O]+ 334.94001 143.0
[M+HCOO]- 396.94095 154.2
[M+CH3COO]- 410.95660 207.7
[M+Na-2H]- 372.91742 159.5
[M]+ 351.94220 140.2
[M]- 351.94330 140.2
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