CID 137373877

2160713-31-3

Structural Information

Molecular Formula
C6H8F6O3S
SMILES
CC(C)(COS(=O)(=O)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H8F6O3S/c1-4(2,5(7,8)9)3-15-16(13,14)6(10,11)12/h3H2,1-2H3
InChIKey
GWBFNMQTNNWJEC-UHFFFAOYSA-N
Compound name
(3,3,3-trifluoro-2,2-dimethylpropyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

274.00983 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01711 147.2
[M+Na]+ 296.99905 156.1
[M-H]- 273.00255 140.3
[M+NH4]+ 292.04365 163.5
[M+K]+ 312.97299 154.3
[M+H-H2O]+ 257.00709 138.3
[M+HCOO]- 319.00803 154.3
[M+CH3COO]- 333.02368 192.8
[M+Na-2H]- 294.98450 151.4
[M]+ 274.00928 143.2
[M]- 274.01038 143.2
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