CID 2060597

2,2,3,3-tetrafluoropropyl 4-toluenesulfonate

Structural Information

Molecular Formula
C10H10F4O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC(C(F)F)(F)F
InChI
InChI=1S/C10H10F4O3S/c1-7-2-4-8(5-3-7)18(15,16)17-6-10(13,14)9(11)12/h2-5,9H,6H2,1H3
InChIKey
IMDNPHAMGJIKNV-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoropropyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

286.0287 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03598 153.7
[M+Na]+ 309.01792 162.3
[M-H]- 285.02142 152.3
[M+NH4]+ 304.06252 169.6
[M+K]+ 324.99186 159.2
[M+H-H2O]+ 269.02596 144.6
[M+HCOO]- 331.02690 165.2
[M+CH3COO]- 345.04255 196.3
[M+Na-2H]- 307.00337 155.8
[M]+ 286.02815 152.9
[M]- 286.02925 152.9
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