CID 16093824

917966-97-3

Structural Information

Molecular Formula
C8H9F9O2S
SMILES
C(CS(=O)CCO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F9O2S/c9-5(10,1-3-20(19)4-2-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2
InChIKey
XBIGHPJVWBVBPS-UHFFFAOYSA-N
Compound name
2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfinyl)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.01794 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.02522 160.3
[M+Na]+ 363.00716 167.5
[M-H]- 339.01066 147.9
[M+NH4]+ 358.05176 172.8
[M+K]+ 378.98110 163.8
[M+H-H2O]+ 323.01520 148.7
[M+HCOO]- 385.01614 160.8
[M+CH3COO]- 399.03179 205.1
[M+Na-2H]- 360.99261 160.3
[M]+ 340.01739 149.6
[M]- 340.01849 149.6
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

No patent data available for this compound.