CID 3735895

N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

Structural Information

Molecular Formula
C12H10F15NO
SMILES
CCCCNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F15NO/c1-2-3-4-28-5(29)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h2-4H2,1H3,(H,28,29)
InChIKey
CWRVUMYBNHZJOL-UHFFFAOYSA-N
Compound name
N-butyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

469.05228 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.05956 170.7
[M+Na]+ 492.04150 170.6
[M+NH4]+ 487.08610 170.1
[M+K]+ 508.01544 170.3
[M-H]- 468.04500 168.0
[M+Na-2H]- 490.02695 170.0
[M]+ 469.05173 169.8
[M]- 469.05283 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.