CID 121652

30184-89-5

Structural Information

Molecular Formula
C5H7F6NO2
SMILES
C(CO)NC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C5H7F6NO2/c6-4(7,8)3(14,5(9,10)11)12-1-2-13/h12-14H,1-2H2
InChIKey
HOAZZPXYRQORAE-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-(2-hydroxyethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0381 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04538 139.5
[M+Na]+ 250.02732 146.9
[M-H]- 226.03082 129.7
[M+NH4]+ 245.07192 155.6
[M+K]+ 266.00126 144.7
[M+H-H2O]+ 210.03536 131.0
[M+HCOO]- 272.03630 150.9
[M+CH3COO]- 286.05195 184.9
[M+Na-2H]- 248.01277 145.1
[M]+ 227.03755 128.8
[M]- 227.03865 128.8
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.