CID 152017556

Dtxsid301204349

Structural Information

Molecular Formula
C10H10F4O3S
SMILES
CCCC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)F
InChI
InChI=1S/C10H10F4O3S/c1-2-3-7-4-5-9(8(11)6-7)17-18(15,16)10(12,13)14/h4-6H,2-3H2,1H3
InChIKey
UJZWOEOAFMHYNY-UHFFFAOYSA-N
Compound name
(2-fluoro-4-propylphenyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0287 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03598 168.4
[M+Na]+ 309.01792 175.1
[M+NH4]+ 304.06252 171.8
[M+K]+ 324.99186 169.3
[M-H]- 285.02142 162.7
[M+Na-2H]- 307.00337 169.5
[M]+ 286.02815 167.8
[M]- 286.02925 167.8
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

No patent data available for this compound.