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

17
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

literature stripe

Patent stripe

patents stripe