CID 89645965

Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate

Structural Information

Molecular Formula
C11H11F11O5S
SMILES
CCOC(=O)CCC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H11F11O5S/c1-2-26-6(23)3-4-7(12,13)5-27-28(24,25)11(21,22)9(16,17)8(14,15)10(18,19)20/h2-5H2,1H3
InChIKey
VWTZJHIQIGBHCX-UHFFFAOYSA-N
Compound name
ethyl 4,4-difluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)pentanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

464.01517 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.02245 169.8
[M+Na]+ 487.00439 174.7
[M-H]- 463.00789 173.7
[M+NH4]+ 482.04899 179.9
[M+K]+ 502.97833 178.8
[M+H-H2O]+ 447.01243 162.6
[M+HCOO]- 509.01337 189.5
[M+CH3COO]- 523.02902 225.8
[M+Na-2H]- 484.98984 166.1
[M]+ 464.01462 172.2
[M]- 464.01572 172.2
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