CID 67635

335-71-7

Structural Information

Molecular Formula
C7F16O2S
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7F16O2S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25
InChIKey
FBIOXUYLJVKPPG-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

28
Patents

451.93634 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.94362 178.4
[M+Na]+ 474.92556 161.9
[M-H]- 450.92906 161.9
[M+NH4]+ 469.97016 165.8
[M+K]+ 490.89950 184.2
[M+H-H2O]+ 434.93360 163.0
[M+HCOO]- 496.93454 179.0
[M+CH3COO]- 510.95019 225.5
[M+Na-2H]- 472.91101 181.4
[M]+ 451.93579 158.6
[M]- 451.93689 158.6
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