CID 88548038

228547-73-7

Structural Information

Molecular Formula
C4H9F2NO
SMILES
C(C(CF)(CF)N)O
InChI
InChI=1S/C4H9F2NO/c5-1-4(7,2-6)3-8/h8H,1-3,7H2
InChIKey
LPEUUBBXMBUTCQ-UHFFFAOYSA-N
Compound name
2-amino-3-fluoro-2-(fluoromethyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

125.06522 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07250 122.4
[M+Na]+ 148.05444 129.6
[M-H]- 124.05794 118.4
[M+NH4]+ 143.09904 143.4
[M+K]+ 164.02838 128.5
[M+H-H2O]+ 108.06248 116.7
[M+HCOO]- 170.06342 142.3
[M+CH3COO]- 184.07907 170.3
[M+Na-2H]- 146.03989 128.6
[M]+ 125.06467 117.6
[M]- 125.06577 117.6
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