CID 4606680

2,2,3,3,4,4,4-heptafluoro-n,n-bis(2-methylpropyl)butanamide

Structural Information

Molecular Formula
C12H18F7NO
SMILES
CC(C)CN(CC(C)C)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H18F7NO/c1-7(2)5-20(6-8(3)4)9(21)10(13,14)11(15,16)12(17,18)19/h7-8H,5-6H2,1-4H3
InChIKey
NDFMNNOBKSRVCH-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N,N-bis(2-methylpropyl)butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

325.12766 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13494 166.7
[M+Na]+ 348.11688 172.3
[M-H]- 324.12038 159.2
[M+NH4]+ 343.16148 180.9
[M+K]+ 364.09082 171.6
[M+H-H2O]+ 308.12492 156.3
[M+HCOO]- 370.12586 175.5
[M+CH3COO]- 384.14151 216.5
[M+Na-2H]- 346.10233 165.2
[M]+ 325.12711 158.3
[M]- 325.12821 158.3
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.