CID 69634

Trifluoroacetic trifluoroacetohydroxamic anhydride

Structural Information

Molecular Formula
C4HF6NO3
SMILES
C(=O)(C(F)(F)F)NOC(=O)C(F)(F)F
InChI
InChI=1S/C4HF6NO3/c5-3(6,7)1(12)11-14-2(13)4(8,9)10/h(H,11,12)
InChIKey
CYSAMXITKBXZOP-UHFFFAOYSA-N
Compound name
[(2,2,2-trifluoroacetyl)amino] 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

164
Patents

224.98607 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.99335 134.1
[M+Na]+ 247.97529 142.7
[M-H]- 223.97879 127.3
[M+NH4]+ 243.01989 151.7
[M+K]+ 263.94923 142.5
[M+H-H2O]+ 207.98333 125.0
[M+HCOO]- 269.98427 149.2
[M+CH3COO]- 283.99992 186.2
[M+Na-2H]- 245.96074 138.2
[M]+ 224.98552 126.1
[M]- 224.98662 126.1
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