CID 67749

Trifluoromethanesulfonic anhydride

Structural Information

Molecular Formula
C2F6O5S2
SMILES
C(F)(F)(F)S(=O)(=O)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C2F6O5S2/c3-1(4,5)14(9,10)13-15(11,12)2(6,7)8
InChIKey
WJKHJLXJJJATHN-UHFFFAOYSA-N
Compound name
trifluoromethylsulfonyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

108
References

87884
Patents

281.90915 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.91643 142.3
[M+Na]+ 304.89837 151.7
[M-H]- 280.90187 135.1
[M+NH4]+ 299.94297 157.5
[M+K]+ 320.87231 148.8
[M+H-H2O]+ 264.90641 132.9
[M+HCOO]- 326.90735 145.8
[M+CH3COO]- 340.92300 187.9
[M+Na-2H]- 302.88382 146.8
[M]+ 281.90860 138.9
[M]- 281.90970 138.9
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