CID 162396515

Dtxsid101032659

Structural Information

Molecular Formula
C7HCl2F13O6S
SMILES
C(C(OC(C(F)(F)Cl)(F)Cl)(F)F)(C(F)(F)F)(OC(OC(F)(F)S(=O)(=O)O)(F)F)F
InChI
InChI=1S/C7HCl2F13O6S/c8-2(11,12)3(9,13)27-5(17,18)1(10,4(14,15)16)26-6(19,20)28-7(21,22)29(23,24)25/h(H,23,24,25)
InChIKey
RBPOIOCYPHBGPO-UHFFFAOYSA-N
Compound name
[[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-difluoromethoxy]-difluoromethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

529.86633 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.87361 161.1
[M+Na]+ 552.85555 164.4
[M-H]- 528.85905 169.5
[M+NH4]+ 547.90015 171.7
[M+K]+ 568.82949 171.0
[M+H-H2O]+ 512.86359 151.5
[M+HCOO]- 574.86453 182.9
[M+CH3COO]- 588.88018 228.8
[M+Na-2H]- 550.84100 159.7
[M]+ 529.86578 168.9
[M]- 529.86688 168.9
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.