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

literature stripe

Patent stripe

patents stripe