CID 69678

697-18-7

Structural Information

Molecular Formula
C2F4O3S
SMILES
C1(C(S(=O)(=O)O1)(F)F)(F)F
InChI
InChI=1S/C2F4O3S/c3-1(4)2(5,6)10(7,8)9-1
InChIKey
ZMSRCMWBEGLBAI-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluorooxathietane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

228
Patents

179.95042 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.95770 114.1
[M+Na]+ 202.93964 124.6
[M-H]- 178.94314 114.8
[M+NH4]+ 197.98424 132.4
[M+K]+ 218.91358 127.5
[M+H-H2O]+ 162.94768 105.2
[M+HCOO]- 224.94862 127.9
[M+CH3COO]- 238.96427 177.7
[M+Na-2H]- 200.92509 121.6
[M]+ 179.94987 122.4
[M]- 179.95097 122.4
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