CID 4072472

N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide

Structural Information

Molecular Formula
C21H26F17NO
SMILES
CCCCCCCCCCCCNC(=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/C21H26F17NO/c1-2-3-4-5-6-7-8-9-10-11-12-39-13(40)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-12H2,1H3,(H,39,40)
InChIKey
PUJWRMJJJYQDFD-UHFFFAOYSA-N
Compound name
N-dodecyl-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

631.1743 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.18158 204.7
[M+Na]+ 654.16352 210.4
[M-H]- 630.16702 210.6
[M+NH4]+ 649.20812 213.7
[M+K]+ 670.13746 221.0
[M+H-H2O]+ 614.17156 192.8
[M+HCOO]- 676.17250 218.9
[M+CH3COO]- 690.18815 262.8
[M+Na-2H]- 652.14897 199.9
[M]+ 631.17375 200.6
[M]- 631.17485 200.6
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.