CID 4147050

N,n'-(propane-1,2-diyl)bis(2,2,3,3,4,4,4-heptafluorobutanamide)

Structural Information

Molecular Formula
C11H8F14N2O2
SMILES
CC(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/C11H8F14N2O2/c1-3(27-5(29)7(14,15)9(18,19)11(23,24)25)2-26-4(28)6(12,13)8(16,17)10(20,21)22/h3H,2H2,1H3,(H,26,28)(H,27,29)
InChIKey
HGSDUSCXQFLBKU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

466.03622 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.04350 170.5
[M+Na]+ 489.02544 180.6
[M-H]- 465.02894 181.8
[M+NH4]+ 484.07004 180.4
[M+K]+ 504.99938 184.1
[M+H-H2O]+ 449.03348 162.6
[M+HCOO]- 511.03442 182.6
[M+CH3COO]- 525.05007 235.2
[M+Na-2H]- 487.01089 169.5
[M]+ 466.03567 163.9
[M]- 466.03677 163.9
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.