CID 13794570

Methylamine, n-heptafluorobutyryl-

Structural Information

Molecular Formula
C5H4F7NO
SMILES
CNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H4F7NO/c1-13-2(14)3(6,7)4(8,9)5(10,11)12/h1H3,(H,13,14)
InChIKey
SYNCJBMZJQYPLW-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

227.01811 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.02539 136.9
[M+Na]+ 250.00733 145.4
[M-H]- 226.01083 128.9
[M+NH4]+ 245.05193 154.3
[M+K]+ 265.98127 144.0
[M+H-H2O]+ 210.01537 127.4
[M+HCOO]- 272.01631 149.3
[M+CH3COO]- 286.03196 190.9
[M+Na-2H]- 247.99278 141.7
[M]+ 227.01756 125.9
[M]- 227.01866 125.9
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