CID 579337

4-methoxyphenyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C8H7F3O4S
SMILES
COC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C8H7F3O4S/c1-14-6-2-4-7(5-3-6)15-16(12,13)8(9,10)11/h2-5H,1H3
InChIKey
XSTNIRWDULKNJE-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

256.0017 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00898 156.5
[M+Na]+ 278.99092 164.2
[M+NH4]+ 274.03552 160.8
[M+K]+ 294.96486 159.0
[M-H]- 254.99442 151.7
[M+Na-2H]- 276.97637 159.0
[M]+ 256.00115 156.3
[M]- 256.00225 156.3
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