CID 614611

N,n'-bis(perfluorobutanoyl)1,4-butanediamine

Structural Information

Molecular Formula
C12H10F14N2O2
SMILES
C(CCNC(=O)C(C(C(F)(F)F)(F)F)(F)F)CNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F14N2O2/c13-7(14,9(17,18)11(21,22)23)5(29)27-3-1-2-4-28-6(30)8(15,16)10(19,20)12(24,25)26/h1-4H2,(H,27,29)(H,28,30)
InChIKey
AHAQXHMPHGIPBT-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)butyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

480.05188 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.05916 172.8
[M+Na]+ 503.04110 182.3
[M-H]- 479.04460 182.4
[M+NH4]+ 498.08570 181.3
[M+K]+ 519.01504 185.7
[M+H-H2O]+ 463.04914 164.2
[M+HCOO]- 525.05008 186.7
[M+CH3COO]- 539.06573 237.2
[M+Na-2H]- 501.02655 170.9
[M]+ 480.05133 166.1
[M]- 480.05243 166.1
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.