CID 3021063

85938-56-3

Structural Information

Molecular Formula
C11H9F15N2O
SMILES
C(CN)CNC(=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/C11H9F15N2O/c12-5(13,4(29)28-3-1-2-27)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h1-3,27H2,(H,28,29)
InChIKey
YIQVOMZDSOSAQY-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2
Patents

470.04755 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.05483 164.6
[M+Na]+ 493.03677 173.2
[M-H]- 469.04027 173.3
[M+NH4]+ 488.08137 171.2
[M+K]+ 509.01071 177.6
[M+H-H2O]+ 453.04481 153.8
[M+HCOO]- 515.04575 180.1
[M+CH3COO]- 529.06140 236.7
[M+Na-2H]- 491.02222 163.3
[M]+ 470.04700 158.3
[M]- 470.04810 158.3
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

patents stripe