CID 617533

N,n-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide

Structural Information

Molecular Formula
C12H18F7NO
SMILES
CCCCN(CCCC)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H18F7NO/c1-3-5-7-20(8-6-4-2)9(21)10(13,14)11(15,16)12(17,18)19/h3-8H2,1-2H3
InChIKey
SSLBWWFVNPTUPO-UHFFFAOYSA-N
Compound name
N,N-dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

325.12766 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13494 169.2
[M+Na]+ 348.11688 175.2
[M-H]- 324.12038 161.5
[M+NH4]+ 343.16148 183.5
[M+K]+ 364.09082 173.4
[M+H-H2O]+ 308.12492 158.3
[M+HCOO]- 370.12586 179.8
[M+CH3COO]- 384.14151 214.9
[M+Na-2H]- 346.10233 169.7
[M]+ 325.12711 162.1
[M]- 325.12821 162.1
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.