CID 109607

34451-25-7

Structural Information

Molecular Formula
C6H5F9S
SMILES
C(CS)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H5F9S/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2
InChIKey
GQJXVHYUQPXZOL-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,6-nonafluorohexane-1-thiol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

292
Patents

279.99683 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00411 146.6
[M+Na]+ 302.98605 155.3
[M-H]- 278.98955 136.1
[M+NH4]+ 298.03065 162.4
[M+K]+ 318.95999 152.3
[M+H-H2O]+ 262.99409 135.2
[M+HCOO]- 324.99503 149.5
[M+CH3COO]- 339.01068 198.6
[M+Na-2H]- 300.97150 148.2
[M]+ 279.99628 135.6
[M]- 279.99738 135.6
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