CID 74392

2,2,4,4-tetrafluoro-1,3-dithietane

Structural Information

Molecular Formula
C2F4S2
SMILES
C1(SC(S1)(F)F)(F)F
InChI
InChI=1S/C2F4S2/c3-1(4)7-2(5,6)8-1
InChIKey
MPOCEMBRPHOCMK-UHFFFAOYSA-N
Compound name
2,2,4,4-tetrafluoro-1,3-dithietane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

163.93776 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.94504 111.6
[M+Na]+ 186.92698 119.5
[M-H]- 162.93048 110.2
[M+NH4]+ 181.97158 129.5
[M+K]+ 202.90092 119.7
[M+H-H2O]+ 146.93502 100.3
[M+HCOO]- 208.93596 119.3
[M+CH3COO]- 222.95161 177.5
[M+Na-2H]- 184.91243 114.5
[M]+ 163.93721 116.3
[M]- 163.93831 116.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe