CID 55290751

3-amino-2,2-difluoropropan-1-ol

Structural Information

Molecular Formula
C3H7F2NO
SMILES
C(C(CO)(F)F)N
InChI
InChI=1S/C3H7F2NO/c4-3(5,1-6)2-7/h7H,1-2,6H2
InChIKey
IUZGHWSIJQTEAD-UHFFFAOYSA-N
Compound name
3-amino-2,2-difluoropropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

221
Patents

111.04957 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.056846 117.8
[M+Na]+ 134.038788 125.4
[M-H]- 110.042294 114.0
[M+NH4]+ 129.083393 139.3
[M+K]+ 150.012728 124.6
[M+H-H2O]+ 94.046830 112.3
[M+HCOO]- 156.047771 137.9
[M+CH3COO]- 170.063421 167.2
[M+Na-2H]- 132.024236 124.4
[M]+ 111.04902142 112.6
[M]- 111.05011858 112.6
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