CID 109945

Nonadecafluorononanesulfonyl fluoride

Structural Information

Molecular Formula
C9F20O2S
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9F20O2S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31
InChIKey
NBFKXQZHVNHRSB-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
Patents

551.93 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 552.93728 172.3
[M+Na]+ 574.91922 176.2
[M-H]- 550.92272 180.0
[M+NH4]+ 569.96382 183.0
[M+K]+ 590.89316 186.6
[M+H-H2O]+ 534.92726 160.3
[M+HCOO]- 596.92820 193.1
[M+CH3COO]- 610.94385 241.1
[M+Na-2H]- 572.90467 172.6
[M]+ 551.92945 173.6
[M]- 551.93055 173.6
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

patents stripe