CID 3089628

N,n'-bis(perfluorobutanoyl)1,5-pentanediamine

Structural Information

Molecular Formula
C13H12F14N2O2
SMILES
C(CCNC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H12F14N2O2/c14-8(15,10(18,19)12(22,23)24)6(30)28-4-2-1-3-5-29-7(31)9(16,17)11(20,21)13(25,26)27/h1-5H2,(H,28,30)(H,29,31)
InChIKey
HSZXWSFEBIXCLM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[5-(2,2,3,3,4,4,4-heptafluorobutanoylamino)pentyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

494.06754 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.07482 176.6
[M+Na]+ 517.05676 185.9
[M-H]- 493.06026 185.8
[M+NH4]+ 512.10136 185.0
[M+K]+ 533.03070 189.6
[M+H-H2O]+ 477.06480 167.8
[M+HCOO]- 539.06574 190.0
[M+CH3COO]- 553.08139 239.8
[M+Na-2H]- 515.04221 174.2
[M]+ 494.06699 169.7
[M]- 494.06809 169.7
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.