CID 544022

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

Structural Information

Molecular Formula
C16H22F7NO
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C16H22F7NO/c17-14(18,15(19,20)16(21,22)23)13(25)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
WMHGSOYODMNMSD-UHFFFAOYSA-N
Compound name
N,N-dicyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

377.15897 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16625 182.6
[M+Na]+ 400.14819 183.5
[M-H]- 376.15169 178.8
[M+NH4]+ 395.19279 193.4
[M+K]+ 416.12213 180.6
[M+H-H2O]+ 360.15623 169.7
[M+HCOO]- 422.15717 186.2
[M+CH3COO]- 436.17282 219.9
[M+Na-2H]- 398.13364 180.6
[M]+ 377.15842 164.2
[M]- 377.15952 164.2
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.