CID 350051

86273-64-5

Structural Information

Molecular Formula
C10H6F14N2O2
SMILES
C(CNC(=O)C(C(C(F)(F)F)(F)F)(F)F)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F14N2O2/c11-5(12,7(15,16)9(19,20)21)3(27)25-1-2-26-4(28)6(13,14)8(17,18)10(22,23)24/h1-2H2,(H,25,27)(H,26,28)
InChIKey
ZZYRMCDLVWNXGP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)ethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

452.02057 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.02785 165.3
[M+Na]+ 475.00979 175.1
[M-H]- 451.01329 175.5
[M+NH4]+ 470.05439 173.9
[M+K]+ 490.98373 177.8
[M+H-H2O]+ 435.01783 168.1
[M+HCOO]- 497.01877 179.9
[M+CH3COO]- 511.03442 231.9
[M+Na-2H]- 472.99524 164.4
[M]+ 452.02002 158.8
[M]- 452.02112 158.8
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.