CID 105427236

3-amino-4,4-difluorobutan-1-ol

Structural Information

Molecular Formula
C4H9F2NO
SMILES
C(CO)C(C(F)F)N
InChI
InChI=1S/C4H9F2NO/c5-4(6)3(7)1-2-8/h3-4,8H,1-2,7H2
InChIKey
SFXJPSDXDNAPST-UHFFFAOYSA-N
Compound name
3-amino-4,4-difluorobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

125.06522 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07250 123.5
[M+Na]+ 148.05444 129.8
[M-H]- 124.05794 119.4
[M+NH4]+ 143.09904 144.3
[M+K]+ 164.02838 129.3
[M+H-H2O]+ 108.06248 117.3
[M+HCOO]- 170.06342 142.9
[M+CH3COO]- 184.07907 171.7
[M+Na-2H]- 146.03989 126.4
[M]+ 125.06467 117.9
[M]- 125.06577 117.9
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

patents stripe