CID 162396463

Dtxsid301032679

Structural Information

Molecular Formula

C₈HCl₂F₁₅O₅S

SMILES

C(C(OC(C(F)(F)Cl)(F)Cl)(F)F)(C(F)(F)F)(OC(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)F

InChI

InChI=1S/C8HCl2F15O5S/c9-3(14,15)4(10,16)30-7(22,23)2(13,5(17,18)19)29-6(20,21)1(11,12)8(24,25)31(26,27)28/h(H,26,27,28)

InChIKey

PWKHUUKTXSCTDC-UHFFFAOYSA-N

Compound name

3-[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 563.8682 Da
Monoisotopic Mass: 5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	564.875476	166.1
[M+Na]+	586.857418	169.3
[M-H]-	562.860924	175.3
[M+NH4]+	581.902023	177.1
[M+K]+	602.831358	178.0
[M+H-H2O]+	546.865460	155.2
[M+HCOO]-	608.866401	187.4
[M+CH3COO]-	622.882051	235.0
[M+Na-2H]-	584.842866	165.3
[M]+	563.86765142	173.5
[M]-	563.86874858	173.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.