CID 139595640

Opflsa_i n=3

Structural Information

Molecular Formula
C7HF15O4S
SMILES
C(C(OC(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7HF15O4S/c8-1(3(11,12)13,4(14,15)16)5(17,18)26-6(19,20)2(9,10)7(21,22)27(23,24)25/h(H,23,24,25)
InChIKey
JTGNENYBNYOIMR-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3-hexafluoro-3-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

465.9356 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.942876 155.8
[M+Na]+ 488.924818 159.3
[M-H]- 464.928324 161.9
[M+NH4]+ 483.969423 164.2
[M+K]+ 504.898758 165.6
[M+H-H2O]+ 448.932860 165.2
[M+HCOO]- 510.933801 177.1
[M+CH3COO]- 524.949451 223.5
[M+Na-2H]- 486.910266 154.4
[M]+ 465.93505142 157.4
[M]- 465.93614858 157.4
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.