CID 101380440

Schembl22203988

Structural Information

Molecular Formula
C5H2F10O5S
SMILES
C(C(O)(F)F)(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F
InChI
InChI=1S/C5H2F10O5S/c6-1(2(7,8)9,3(10,11)16)20-4(12,13)5(14,15)21(17,18)19/h16H,(H,17,18,19)
InChIKey
OGSIMMYBSZDLSX-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)oxyethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

363.94632 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.95360 157.9
[M+Na]+ 386.93554 166.0
[M-H]- 362.93904 143.9
[M+NH4]+ 381.98014 145.1
[M+K]+ 402.90948 163.6
[M+H-H2O]+ 346.94358 146.7
[M+HCOO]- 408.94452 161.4
[M+CH3COO]- 422.96017 202.8
[M+Na-2H]- 384.92099 163.3
[M]+ 363.94577 145.4
[M]- 363.94687 145.4
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

patents stripe