CID 13262974

88326-80-1

Structural Information

Molecular Formula
C6HF10NO3
SMILES
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)NOC(=O)C(F)(F)F
InChI
InChI=1S/C6HF10NO3/c7-3(8,5(12,13)6(14,15)16)1(18)17-20-2(19)4(9,10)11/h(H,17,18)
InChIKey
PDCLKAKNADZBRL-UHFFFAOYSA-N
Compound name
(2,2,3,3,4,4,4-heptafluorobutanoylamino) 2,2,2-trifluoroacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.97968 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.986956 153.0
[M+Na]+ 347.968898 161.8
[M-H]- 323.972404 141.7
[M+NH4]+ 343.013503 166.1
[M+K]+ 363.942838 160.4
[M+H-H2O]+ 307.976940 141.3
[M+HCOO]- 369.977881 160.1
[M+CH3COO]- 383.993531 205.1
[M+Na-2H]- 345.954346 156.1
[M]+ 324.97913142 138.7
[M]- 324.98022858 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.