CID 9845

Trifluoroacetic anhydride

Structural Information

Molecular Formula
C4F6O3
SMILES
C(=O)(C(F)(F)F)OC(=O)C(F)(F)F
InChI
InChI=1S/C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
InChIKey
QAEDZJGFFMLHHQ-UHFFFAOYSA-N
Compound name
(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

260
References

127590
Patents

209.97516 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.98244 129.6
[M+Na]+ 232.96438 139.2
[M-H]- 208.96788 123.0
[M+NH4]+ 228.00898 148.2
[M+K]+ 248.93832 138.9
[M+H-H2O]+ 192.97242 121.1
[M+HCOO]- 254.97336 143.8
[M+CH3COO]- 268.98901 182.1
[M+Na-2H]- 230.94983 133.6
[M]+ 209.97461 122.6
[M]- 209.97571 122.6
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