CID 4165117

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-n-pentylnonanamide

Structural Information

Molecular Formula
C14H12F17NO
SMILES
CCCCCNC(=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/C14H12F17NO/c1-2-3-4-5-32-6(33)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/h2-5H2,1H3,(H,32,33)
InChIKey
VAZPBMQLECGKFX-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-pentylnonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

533.06476 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.07204 179.6
[M+Na]+ 556.05398 186.5
[M-H]- 532.05748 187.6
[M+NH4]+ 551.09858 188.9
[M+K]+ 572.02792 194.7
[M+H-H2O]+ 516.06202 168.7
[M+HCOO]- 578.06296 196.3
[M+CH3COO]- 592.07861 245.9
[M+Na-2H]- 554.03943 177.9
[M]+ 533.06421 176.1
[M]- 533.06531 176.1
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.