CID 56776505

1036375-28-6

Structural Information

Molecular Formula
C6H3F11O3S
SMILES
C(C(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H3F11O3S/c7-2(8)1-20-21(18,19)6(16,17)4(11,12)3(9,10)5(13,14)15/h2H,1H2
InChIKey
SDJUPHWJHCYGLN-UHFFFAOYSA-N
Compound name
2,2-difluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

363.96274 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.97002 159.1
[M+Na]+ 386.95196 167.9
[M-H]- 362.95546 146.5
[M+NH4]+ 381.99656 170.8
[M+K]+ 402.92590 165.3
[M+H-H2O]+ 346.96000 146.3
[M+HCOO]- 408.96094 158.7
[M+CH3COO]- 422.97659 209.4
[M+Na-2H]- 384.93741 161.0
[M]+ 363.96219 146.7
[M]- 363.96329 146.7
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