CID 3308027

N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

Structural Information

Molecular Formula
C20H26F15NO
SMILES
CCCCCCCCCCCCNC(=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/C20H26F15NO/c1-2-3-4-5-6-7-8-9-10-11-12-36-13(37)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h2-12H2,1H3,(H,36,37)
InChIKey
DJXYIBRHPIHIPY-UHFFFAOYSA-N
Compound name
N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

581.1775 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.18478 199.1
[M+Na]+ 604.16672 205.5
[M-H]- 580.17022 203.4
[M+NH4]+ 599.21132 207.0
[M+K]+ 620.14066 214.1
[M+H-H2O]+ 564.17476 188.4
[M+HCOO]- 626.17570 213.5
[M+CH3COO]- 640.19135 256.0
[M+Na-2H]- 602.15217 193.9
[M]+ 581.17695 195.0
[M]- 581.17805 195.0
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.