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]+ 325.98696 153.0
[M+Na]+ 347.96890 161.8
[M-H]- 323.97240 141.7
[M+NH4]+ 343.01350 166.1
[M+K]+ 363.94284 160.4
[M+H-H2O]+ 307.97694 141.3
[M+HCOO]- 369.97788 160.1
[M+CH3COO]- 383.99353 205.1
[M+Na-2H]- 345.95435 156.1
[M]+ 324.97913 138.7
[M]- 324.98023 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.