CID 98916

67674-48-0

Structural Information

Molecular Formula
C10H8F6O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C10H8F6O3S/c1-6-2-4-7(5-3-6)20(17,18)19-8(9(11,12)13)10(14,15)16/h2-5,8H,1H3
InChIKey
QGSVBFAODCJVIZ-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropan-2-yl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

322.00983 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.01711 180.0
[M+Na]+ 344.99905 183.4
[M+NH4]+ 340.04365 181.1
[M+K]+ 360.97299 179.4
[M-H]- 321.00255 172.1
[M+Na-2H]- 342.98450 179.1
[M]+ 322.00928 178.2
[M]- 322.01038 178.2
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