CID 3886873

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-n-[3-(trifluoromethyl)phenyl]nonanamide

Structural Information

Molecular Formula
C16H5F20NO
SMILES
C1=CC(=CC(=C1)NC(=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)C(F)(F)F
InChI
InChI=1S/C16H5F20NO/c17-8(18,7(38)37-6-3-1-2-5(4-6)9(19,20)21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)36/h1-4H,(H,37,38)
InChIKey
QCSAVEZBIBPLJM-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[3-(trifluoromethyl)phenyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

607.0052 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.01248 177.5
[M+Na]+ 629.99442 185.5
[M-H]- 605.99792 187.7
[M+NH4]+ 625.03902 188.2
[M+K]+ 645.96836 193.1
[M+H-H2O]+ 590.00246 167.1
[M+HCOO]- 652.00340 198.0
[M+CH3COO]- 666.01905 254.2
[M+Na-2H]- 627.97987 177.9
[M]+ 607.00465 173.5
[M]- 607.00575 173.5
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.