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
2
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 158.7
[M+Na]+ 321.08082 165.0
[M-H]- 297.08432 151.4
[M+NH4]+ 316.12542 173.7
[M+K]+ 337.05476 164.0
[M+H-H2O]+ 281.08886 147.9
[M+HCOO]- 343.08980 171.3
[M+CH3COO]- 357.10545 210.9
[M+Na-2H]- 319.06627 161.1
[M]+ 298.09105 149.7
[M]- 298.09215 149.7
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.