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 153.8
[M+Na]+ 309.01792 163.7
[M-H]- 285.02142 152.8
[M+NH4]+ 304.06252 170.3
[M+K]+ 324.99186 160.1
[M+H-H2O]+ 269.02596 144.8
[M+HCOO]- 331.02690 166.4
[M+CH3COO]- 345.04255 196.0
[M+Na-2H]- 307.00337 156.3
[M]+ 286.02815 154.0
[M]- 286.02925 154.0
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.