CID 2769355

4-acetylphenyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C9H7F3O4S
SMILES
CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C9H7F3O4S/c1-6(13)7-2-4-8(5-3-7)16-17(14,15)9(10,11)12/h2-5H,1H3
InChIKey
RUMMIUOXQGFCEP-UHFFFAOYSA-N
Compound name
(4-acetylphenyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

268.0017 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.00898 159.8
[M+Na]+ 290.99092 167.0
[M+NH4]+ 286.03552 163.6
[M+K]+ 306.96486 162.3
[M-H]- 266.99442 154.5
[M+Na-2H]- 288.97637 161.8
[M]+ 268.00115 159.4
[M]- 268.00225 159.4
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

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