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

1
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

patents stripe