CID 53722673

Schembl6260269

Structural Information

Molecular Formula
C12H11F15N2O
SMILES
CNCCCNC(=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/C12H11F15N2O/c1-28-3-2-4-29-5(30)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h28H,2-4H2,1H3,(H,29,30)
InChIKey
CIHUQYRKXMQLDI-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(methylamino)propyl]octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

484.06317 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.07045 172.7
[M+Na]+ 507.05239 181.2
[M-H]- 483.05589 181.4
[M+NH4]+ 502.09699 180.1
[M+K]+ 523.02633 186.2
[M+H-H2O]+ 467.06043 162.2
[M+HCOO]- 529.06137 188.3
[M+CH3COO]- 543.07702 239.9
[M+Na-2H]- 505.03784 170.8
[M]+ 484.06262 167.1
[M]- 484.06372 167.1
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.