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
2
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 185.4
[M+Na]+ 571.06482 194.2
[M-H]- 547.06832 196.9
[M+NH4]+ 566.10942 197.0
[M+K]+ 587.03876 202.1
[M+H-H2O]+ 531.07286 175.0
[M+HCOO]- 593.07380 199.8
[M+CH3COO]- 607.08945 252.6
[M+Na-2H]- 569.05027 184.4
[M]+ 548.07505 180.8
[M]- 548.07615 180.8
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.