CID 14787949

27744-59-8

Structural Information

Molecular Formula
C7F16O4S
SMILES
C(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F
InChI
InChI=1S/C7F16O4S/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25
InChIKey
VQUXEUQKVBTRLT-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]oxyethanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

483.92618 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.93346 158.7
[M+Na]+ 506.91540 163.0
[M-H]- 482.91890 165.0
[M+NH4]+ 501.96000 169.0
[M+K]+ 522.88934 169.6
[M+H-H2O]+ 466.92344 149.1
[M+HCOO]- 528.92438 181.0
[M+CH3COO]- 542.94003 228.3
[M+Na-2H]- 504.90085 158.0
[M]+ 483.92563 160.6
[M]- 483.92673 160.6
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.