CID 540603

2,2,3,3,4,4,4-heptafluoro-n-hexylbutanamide

Structural Information

Molecular Formula
C10H14F7NO
SMILES
CCCCCCNC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H14F7NO/c1-2-3-4-5-6-18-7(19)8(11,12)9(13,14)10(15,16)17/h2-6H2,1H3,(H,18,19)
InChIKey
MNNLGTKVUUOSTQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-hexylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.09637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10365 181.2
[M+Na]+ 320.08559 182.4
[M+NH4]+ 315.13019 181.2
[M+K]+ 336.05953 179.2
[M-H]- 296.08909 172.2
[M+Na-2H]- 318.07104 178.2
[M]+ 297.09582 178.3
[M]- 297.09692 178.3
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.