CID 10519307

160969-03-9

Structural Information

Molecular Formula
C11H13F3O5S
SMILES
CS(=O)(=O)OCCOC1=CC=CC=C1OCC(F)(F)F
InChI
InChI=1S/C11H13F3O5S/c1-20(15,16)19-7-6-17-9-4-2-3-5-10(9)18-8-11(12,13)14/h2-5H,6-8H2,1H3
InChIKey
HOJMCBMXHWZNKX-UHFFFAOYSA-N
Compound name
2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

314.04358 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05086 163.1
[M+Na]+ 337.03280 171.3
[M-H]- 313.03630 162.8
[M+NH4]+ 332.07740 178.0
[M+K]+ 353.00674 168.9
[M+H-H2O]+ 297.04084 154.2
[M+HCOO]- 359.04178 176.9
[M+CH3COO]- 373.05743 199.1
[M+Na-2H]- 335.01825 166.8
[M]+ 314.04303 167.3
[M]- 314.04413 167.3
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