CID 5013682

N,n'-1,3-phenylenebis(perfluorobutanamide)

Structural Information

Molecular Formula
C14H6F14N2O2
SMILES
C1=CC(=CC(=C1)NC(=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/C14H6F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-2-1-3-6(4-5)30-8(32)10(17,18)12(21,22)14(26,27)28/h1-4H,(H,29,31)(H,30,32)
InChIKey
DXAPKYLFBXPQRX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

500.02057 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.02785 195.4
[M+Na]+ 523.00979 203.2
[M-H]- 499.01329 183.2
[M+NH4]+ 518.05439 174.7
[M+K]+ 538.98373 198.9
[M+H-H2O]+ 483.01783 179.4
[M+HCOO]- 545.01877 184.2
[M+CH3COO]- 559.03442 239.7
[M+Na-2H]- 520.99524 196.9
[M]+ 500.02002 173.4
[M]- 500.02112 173.4
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.