CID 14317645

749836-20-2

Structural Information

Molecular Formula
C7H2F14O5S
SMILES
C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F)(F)F)F
InChI
InChI=1S/C7H2F14O5S/c8-1(2(9,10)11)25-5(16,17)3(12,4(13,14)15)26-6(18,19)7(20,21)27(22,23)24/h1H,(H,22,23,24)
InChIKey
KOHJZTAURQTUHH-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxyethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

463.93994 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.94722 157.8
[M+Na]+ 486.92916 161.5
[M-H]- 462.93266 163.8
[M+NH4]+ 481.97376 167.0
[M+K]+ 502.90310 166.8
[M+H-H2O]+ 446.93720 148.8
[M+HCOO]- 508.93814 176.7
[M+CH3COO]- 522.95379 222.5
[M+Na-2H]- 484.91461 155.8
[M]+ 463.93939 158.6
[M]- 463.94049 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