CID 542755

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol

Structural Information

Molecular Formula
C10H5F17S
SMILES
C(CS)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F17S/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h28H,1-2H2
InChIKey
URJIJZCEKHSLHA-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-thiol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

1114
Patents

479.98404 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.99132 190.1
[M+Na]+ 502.97326 175.0
[M-H]- 478.97676 172.3
[M+NH4]+ 498.01786 177.7
[M+K]+ 518.94720 194.0
[M+H-H2O]+ 462.98130 173.4
[M+HCOO]- 524.98224 190.2
[M+CH3COO]- 538.99789 234.2
[M+Na-2H]- 500.95871 190.2
[M]+ 479.98349 171.5
[M]- 479.98459 171.5
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