CID 4396391

N,n'-bis(perfluorobutanoyl)1,6-hexanediamine

Structural Information

Molecular Formula
C14H14F14N2O2
SMILES
C(CCCNC(=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/C14H14F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-3-1-2-4-6-30-8(32)10(17,18)12(21,22)14(26,27)28/h1-6H2,(H,29,31)(H,30,32)
InChIKey
PFBTUZNXHWKDNA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[6-(2,2,3,3,4,4,4-heptafluorobutanoylamino)hexyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

508.08316 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.09044 180.3
[M+Na]+ 531.07238 189.4
[M-H]- 507.07588 189.2
[M+NH4]+ 526.11698 188.7
[M+K]+ 547.04632 193.5
[M+H-H2O]+ 491.08042 171.4
[M+HCOO]- 553.08136 193.4
[M+CH3COO]- 567.09701 242.5
[M+Na-2H]- 529.05783 177.4
[M]+ 508.08261 173.3
[M]- 508.08371 173.3
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.