CID 57355813

(3-furanyl)sulfur pentafluoride

Structural Information

Molecular Formula
C4H3F5OS
SMILES
C1=COC=C1S(F)(F)(F)(F)F
InChI
InChI=1S/C4H3F5OS/c5-11(6,7,8,9)4-1-2-10-3-4/h1-3H
InChIKey
MDJSCQSIEMJGMO-UHFFFAOYSA-N
Compound name
pentafluoro(furan-3-yl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

193.98248 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.989756 119.9
[M+Na]+ 216.971698 131.4
[M-H]- 192.975204 119.1
[M+NH4]+ 212.016303 140.8
[M+K]+ 232.945638 130.1
[M+H-H2O]+ 176.979740 112.4
[M+HCOO]- 238.980681 134.9
[M+CH3COO]- 252.996331 177.4
[M+Na-2H]- 214.957146 122.2
[M]+ 193.98193142 116.7
[M]- 193.98302858 116.7
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