CID 101731129

Ns00114972

Structural Information

Molecular Formula
C12H18F8NO2
SMILES
C[N+]1(CCOCC1)CCOCC(C(C(C(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H18F8NO2/c1-21(2-5-22-6-3-21)4-7-23-8-10(15,16)12(19,20)11(17,18)9(13)14/h9H,2-8H2,1H3/q+1
InChIKey
JGSXNNAJEDSMKH-UHFFFAOYSA-N
Compound name
4-methyl-4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.12097 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12825 171.0
[M+Na]+ 383.11019 176.4
[M-H]- 359.11369 162.8
[M+NH4]+ 378.15479 182.2
[M+K]+ 399.08413 169.6
[M+H-H2O]+ 343.11823 161.8
[M+HCOO]- 405.11917 173.9
[M+CH3COO]- 419.13482 205.8
[M+Na-2H]- 381.09564 176.7
[M]+ 360.12042 157.7
[M]- 360.12152 157.7
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.