CID 121432785

Tfhfese

Structural Information

Molecular Formula
C7H6F10O2S
SMILES
C(CSC(C(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)O
InChI
InChI=1S/C7H6F10O2S/c8-3(4(9,10)20-2-1-18)19-7(16,17)5(11,12)6(13,14)15/h3,18H,1-2H2
InChIKey
LHDNIAQMOXWLLQ-UHFFFAOYSA-N
Compound name
2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl]sulfanylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

343.9929 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.00018 159.3
[M+Na]+ 366.98212 166.6
[M-H]- 342.98562 145.8
[M+NH4]+ 362.02672 171.5
[M+K]+ 382.95606 163.4
[M+H-H2O]+ 326.99016 146.8
[M+HCOO]- 388.99110 158.9
[M+CH3COO]- 403.00675 206.1
[M+Na-2H]- 364.96757 159.2
[M]+ 343.99235 147.5
[M]- 343.99345 147.5
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.