CID 13045

773-23-9

Structural Information

Molecular Formula
C5H5F6NO
SMILES
C1CN1C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C5H5F6NO/c6-4(7,8)3(13,5(9,10)11)12-1-2-12/h13H,1-2H2
InChIKey
UWDWPQFDNOSJEP-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02753 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03481 130.0
[M+Na]+ 232.01675 140.0
[M-H]- 208.02025 124.8
[M+NH4]+ 227.06135 141.9
[M+K]+ 247.99069 136.7
[M+H-H2O]+ 192.02479 119.9
[M+HCOO]- 254.02573 141.2
[M+CH3COO]- 268.04138 185.0
[M+Na-2H]- 230.00220 136.6
[M]+ 209.02698 122.9
[M]- 209.02808 122.9
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.