CID 71320869

88951-20-6

Structural Information

Molecular Formula
C11H12F9NO
SMILES
C1CC(CCC1C(=O)N)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H12F9NO/c12-8(13,6-3-1-5(2-4-6)7(21)22)9(14,15)10(16,17)11(18,19)20/h5-6H,1-4H2,(H2,21,22)
InChIKey
GCSSQLSSPUPLPE-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0775 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08478 167.9
[M+Na]+ 368.06672 173.8
[M-H]- 344.07022 159.0
[M+NH4]+ 363.11132 179.9
[M+K]+ 384.04066 170.3
[M+H-H2O]+ 328.07476 155.9
[M+HCOO]- 390.07570 171.3
[M+CH3COO]- 404.09135 212.6
[M+Na-2H]- 366.05217 167.9
[M]+ 345.07695 148.9
[M]- 345.07805 148.9
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.