CID 137698766

155990-85-5

Structural Information

Molecular Formula
C6H13F5O2S
SMILES
CCOC(CS(F)(F)(F)(F)F)OCC
InChI
InChI=1S/C6H13F5O2S/c1-3-12-6(13-4-2)5-14(7,8,9,10)11/h6H,3-5H2,1-2H3
InChIKey
FXGUULKPUPGLFS-UHFFFAOYSA-N
Compound name
2,2-diethoxyethyl(pentafluoro)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05565 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06293 137.8
[M+Na]+ 267.04487 146.0
[M-H]- 243.04837 132.0
[M+NH4]+ 262.08947 155.9
[M+K]+ 283.01881 144.5
[M+H-H2O]+ 227.05291 129.4
[M+HCOO]- 289.05385 149.3
[M+CH3COO]- 303.06950 190.8
[M+Na-2H]- 265.03032 136.5
[M]+ 244.05510 136.6
[M]- 244.05620 136.6
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.