CID 2735150

Trifluoroacetyl triflate [powerful trifluoroacetylating reagent]

Structural Information

Molecular Formula
C3F6O4S
SMILES
C(=O)(C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C3F6O4S/c4-2(5,6)1(10)13-14(11,12)3(7,8)9
InChIKey
FWJGTOABGBFQNT-UHFFFAOYSA-N
Compound name
trifluoromethylsulfonyl 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

268
Patents

245.94215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.94943 134.7
[M+Na]+ 268.93137 144.4
[M-H]- 244.93487 128.0
[M+NH4]+ 263.97597 151.9
[M+K]+ 284.90531 143.2
[M+H-H2O]+ 228.93941 125.9
[M+HCOO]- 290.94035 143.6
[M+CH3COO]- 304.95600 184.4
[M+Na-2H]- 266.91682 138.4
[M]+ 245.94160 130.3
[M]- 245.94270 130.3
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