CID 4166702

Perfluoroheptane amido amine

Structural Information

Molecular Formula
C12H13F13N2O
SMILES
CN(C)CCCNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H13F13N2O/c1-27(2)5-3-4-26-6(28)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h3-5H2,1-2H3,(H,26,28)
InChIKey
HEFMHJGSLLYQSB-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.08203 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.08931 181.2
[M+Na]+ 471.07125 180.8
[M+NH4]+ 466.11585 180.1
[M+K]+ 487.04519 179.7
[M-H]- 447.07475 176.7
[M+Na-2H]- 469.05670 179.2
[M]+ 448.08148 179.6
[M]- 448.08258 179.6
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.