CID 4613600

Perfluorononane amido amine

Structural Information

Molecular Formula
C14H13F17N2O
SMILES
CN(C)CCCNC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H13F17N2O/c1-33(2)5-3-4-32-6(34)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3-5H2,1-2H3,(H,32,34)
InChIKey
CMBODFNNJATQMX-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.0756 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.08288 163.4
[M+Na]+ 571.06482 163.4
[M+NH4]+ 566.10942 163.2
[M+K]+ 587.03876 163.7
[M-H]- 547.06832 162.0
[M+Na-2H]- 569.05027 163.6
[M]+ 548.07505 163.0
[M]- 548.07615 163.0
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.