CID 3658496

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-n-[2-(2-hydroxyethoxy)ethyl]octanamide

Structural Information

Molecular Formula
C12H10F15NO3
SMILES
C(COCCO)NC(=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/C12H10F15NO3/c13-6(14,5(30)28-1-3-31-4-2-29)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h29H,1-4H2,(H,28,30)
InChIKey
RSSYTIJSFBLSQT-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[2-(2-hydroxyethoxy)ethyl]octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

501.0421 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.04938 168.9
[M+Na]+ 524.03132 174.8
[M-H]- 500.03482 176.5
[M+NH4]+ 519.07592 176.4
[M+K]+ 540.00526 180.6
[M+H-H2O]+ 484.03936 158.5
[M+HCOO]- 546.04030 184.8
[M+CH3COO]- 560.05595 236.7
[M+Na-2H]- 522.01677 166.3
[M]+ 501.04155 164.5
[M]- 501.04265 164.5
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.