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]+ 194.98976 119.9
[M+Na]+ 216.97170 131.4
[M-H]- 192.97520 119.1
[M+NH4]+ 212.01630 140.8
[M+K]+ 232.94564 130.1
[M+H-H2O]+ 176.97974 112.4
[M+HCOO]- 238.98068 134.9
[M+CH3COO]- 252.99633 177.4
[M+Na-2H]- 214.95715 122.2
[M]+ 193.98193 116.7
[M]- 193.98303 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