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
3
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 169.7
[M+Na]+ 492.04150 177.4
[M-H]- 468.04500 176.6
[M+NH4]+ 487.08610 177.9
[M+K]+ 508.01544 183.2
[M+H-H2O]+ 452.04954 160.0
[M+HCOO]- 514.05048 187.0
[M+CH3COO]- 528.06613 235.6
[M+Na-2H]- 490.02695 168.2
[M]+ 469.05173 166.4
[M]- 469.05283 166.4
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.