CID 10505993

Dtxsid801033046

Structural Information

Molecular Formula
C7HCl2F13O5S
SMILES
C(C(OC(C(F)(F)Cl)(F)Cl)(F)F)(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F
InChI
InChI=1S/C7HCl2F13O5S/c8-2(11,12)3(9,13)27-5(17,18)1(10,4(14,15)16)26-6(19,20)7(21,22)28(23,24)25/h(H,23,24,25)
InChIKey
LZFKGILSNDHWTP-UHFFFAOYSA-N
Compound name
2-[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,2-tetrafluoroethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

513.8714 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.87868 160.0
[M+Na]+ 536.86062 163.8
[M-H]- 512.86412 167.9
[M+NH4]+ 531.90522 170.1
[M+K]+ 552.83456 170.5
[M+H-H2O]+ 496.86866 163.8
[M+HCOO]- 558.86960 181.9
[M+CH3COO]- 572.88525 227.1
[M+Na-2H]- 534.84607 182.2
[M]+ 513.87085 167.7
[M]- 513.87195 167.7
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