CID 5094771

N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C9H13F7N2O
SMILES
CN(C)CCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H13F7N2O/c1-18(2)5-3-4-17-6(19)7(10,11)8(12,13)9(14,15)16/h3-5H2,1-2H3,(H,17,19)
InChIKey
ZWLUCJNJSFZMTB-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0916 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09888 178.3
[M+Na]+ 321.08082 179.0
[M+NH4]+ 316.12542 178.3
[M+K]+ 337.05476 176.6
[M-H]- 297.08432 169.6
[M+Na-2H]- 319.06627 175.5
[M]+ 298.09105 175.4
[M]- 298.09215 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.