CID 162396627

Dtxsid301033065

Structural Information

Molecular Formula
C7HF13O4S
SMILES
C(=C(F)F)(OC(C(OC(C(F)(F)S(=O)O)(F)F)(F)F)(C(F)(F)F)F)F
InChI
InChI=1S/C7HF13O4S/c8-1(9)2(10)23-3(11,4(12,13)14)5(15,16)24-6(17,18)7(19,20)25(21)22/h(H,21,22)
InChIKey
HVVNSSMBNBTFBG-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,2,2-trifluoroethenoxy)propoxy]ethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

427.93878 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.94606 168.1
[M+Na]+ 450.92800 175.5
[M-H]- 426.93150 151.9
[M+NH4]+ 445.97260 168.3
[M+K]+ 466.90194 172.8
[M+H-H2O]+ 410.93604 154.0
[M+HCOO]- 472.93698 173.0
[M+CH3COO]- 486.95263 218.0
[M+Na-2H]- 448.91345 167.0
[M]+ 427.93823 151.6
[M]- 427.93933 151.6
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.