CID 318171

Bis(2,2,2-trifluoroethyl) sulfite

Structural Information

Molecular Formula
C4H4F6O3S
SMILES
C(C(F)(F)F)OS(=O)OCC(F)(F)F
InChI
InChI=1S/C4H4F6O3S/c5-3(6,7)1-12-14(11)13-2-4(8,9)10/h1-2H2
InChIKey
HVNOLEGWKGMONA-UHFFFAOYSA-N
Compound name
bis(2,2,2-trifluoroethyl) sulfite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

245.97853 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.98581 138.4
[M+Na]+ 268.96775 147.0
[M-H]- 244.97125 131.2
[M+NH4]+ 264.01235 155.7
[M+K]+ 284.94169 145.7
[M+H-H2O]+ 228.97579 128.8
[M+HCOO]- 290.97673 147.9
[M+CH3COO]- 304.99238 187.3
[M+Na-2H]- 266.95320 140.2
[M]+ 245.97798 135.1
[M]- 245.97908 135.1
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