CID 2776277

34451-26-8

Structural Information

Molecular Formula
C8H5F13S
SMILES
C(CS)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H5F13S/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22H,1-2H2
InChIKey
GTPHVVCYEWPQFE-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

512
Patents

379.99045 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.99773 180.1
[M+Na]+ 402.97967 180.1
[M+NH4]+ 398.02427 179.4
[M+K]+ 418.95361 178.5
[M-H]- 378.98317 175.7
[M+Na-2H]- 400.96512 178.3
[M]+ 379.98990 178.8
[M]- 379.99100 178.8
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