CID 109606

Thiols, c4-10, gamma-omega-perfluoro

Structural Information

Molecular Formula
C4H5F5S
SMILES
C(CS)C(C(F)(F)F)(F)F
InChI
InChI=1S/C4H5F5S/c5-3(6,1-2-10)4(7,8)9/h10H,1-2H2
InChIKey
WEILNYJKAUGBAU-UHFFFAOYSA-N
Compound name
3,3,4,4,4-pentafluorobutane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

180.00322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.01050 127.0
[M+Na]+ 202.99244 135.8
[M-H]- 178.99594 121.3
[M+NH4]+ 198.03704 147.4
[M+K]+ 218.96638 134.0
[M+H-H2O]+ 163.00048 118.8
[M+HCOO]- 225.00142 137.6
[M+CH3COO]- 239.01707 179.5
[M+Na-2H]- 200.97789 129.9
[M]+ 180.00267 122.1
[M]- 180.00377 122.1
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

patents stripe