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

131
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 146.2
[M+Na]+ 278.99092 156.0
[M-H]- 254.99442 146.6
[M+NH4]+ 274.03552 163.6
[M+K]+ 294.96486 153.7
[M+H-H2O]+ 238.99896 138.2
[M+HCOO]- 300.99990 160.8
[M+CH3COO]- 315.01555 188.1
[M+Na-2H]- 276.97637 151.1
[M]+ 256.00115 148.0
[M]- 256.00225 148.0
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