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
2
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 160.6
[M+Na]+ 320.08559 167.0
[M-H]- 296.08909 151.6
[M+NH4]+ 315.13019 175.3
[M+K]+ 336.05953 164.4
[M+H-H2O]+ 280.09363 150.1
[M+HCOO]- 342.09457 171.3
[M+CH3COO]- 356.11022 205.6
[M+Na-2H]- 318.07104 162.7
[M]+ 297.09582 151.4
[M]- 297.09692 151.4
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.