CID 12046721

1286744-00-0

Structural Information

Molecular Formula
C8H9F10NO2
SMILES
C(COC(C(F)(F)F)(F)F)NCCOC(C(F)(F)F)(F)F
InChI
InChI=1S/C8H9F10NO2/c9-5(10,11)7(15,16)20-3-1-19-2-4-21-8(17,18)6(12,13)14/h19H,1-4H2
InChIKey
RAKJSWWBFGDHRE-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,2-pentafluoroethoxy)-N-[2-(1,1,2,2,2-pentafluoroethoxy)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.04736 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05464 164.5
[M+Na]+ 364.03658 172.2
[M-H]- 340.04008 152.5
[M+NH4]+ 359.08118 177.1
[M+K]+ 380.01052 169.9
[M+H-H2O]+ 324.04462 151.9
[M+HCOO]- 386.04556 172.1
[M+CH3COO]- 400.06121 211.3
[M+Na-2H]- 362.02203 168.2
[M]+ 341.04681 152.3
[M]- 341.04791 152.3
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

patents stripe